Crystalline boron nitride aerogels

DOEpatents

Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

2017-04-04

This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride.

PubMed

Takahashi, Lauren; Takahashi, Keisuke

2017-03-27

An octagonal allotrope of two dimensional boron nitride is explored through first principles calculations. Calculations show that two dimensional octagonal boron nitride can be formed with a binding energy comparable to two dimensional hexagonal boron nitride. In addition, two dimensional octagonal boron nitride is found to have a band gap smaller than two dimensional hexagonal boron nitride, suggesting the possibility of semiconductive attributes. Two dimensional octagonal boron nitride also has the ability to layer through physisorption. Defects present within two dimensional octagonal boron nitride also lead toward the introduction of a magnetic moment through the absence of boron atoms. The presence of defects is also found to render both hexagonal and octagonal boron nitrides reactive against hydrogen, where greater reactivity is seen in the presence of nitrogen. Thus, two dimensional octagonal boron nitride is confirmed with potential to tailor properties and reactivity through lattice shape and purposeful introduction of defects.

Is hexagonal boron nitride always good as a substrate for carbon nanotube-based devices?

PubMed

Kang, Seoung-Hun; Kim, Gunn; Kwon, Young-Kyun

2015-02-21

Hexagonal boron nitride sheets have been noted especially for their enhanced properties as substrates for sp(2) carbon-based nanodevices. To evaluate whether such enhanced properties would be retained under various realistic conditions, we investigate the structural and electronic properties of semiconducting carbon nanotubes on perfect and defective hexagonal boron nitride sheets under an external electric field as well as with a metal impurity, using density functional theory. We verify that the use of a perfect hexagonal boron nitride sheet as a substrate indeed improves the device performances of carbon nanotubes, compared with the use of conventional substrates such as SiO2. We further show that even the hexagonal boron nitride with some defects can show better performance as a substrate. Our calculations, on the other hand, also suggest that some defective boron nitride layers with a monovacancy and a nickel impurity could bring about poor device behavior since the imperfections impair electrical conductivity due to residual scattering under an applied electric field.

The different adsorption mechanism of methane molecule onto a boron nitride and a graphene flakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seyed-Talebi, Seyedeh Mozhgan; Neek-Amal, M., E-mail: neekamal@srttu.edu

2014-10-21

Graphene and single layer hexagonal boron-nitride are two newly discovered 2D materials with wonderful physical properties. Using density functional theory, we study the adsorption mechanism of a methane molecule over a hexagonal flake of single layer hexagonal boron-nitride (h-BN) and compare the results with those of graphene. We found that independent of the used functional in our ab-initio calculations, the adsorption energy in the h-BN flake is larger than that for graphene. Despite of the adsorption energy profile of methane over a graphene flake, we show that there is a long range behavior beyond minimum energy in the adsorption energymore » of methane over h-BN flake. This result reveals the higher sensitivity of h-BN sheet to the adsorption of a typical closed shell molecule with respect to graphene. The latter gives insight in the recent experiments of graphene over hexagonal boron nitride.« less

Inter-layer potential for hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Leven, Itai; Azuri, Ido; Kronik, Leeor; Hod, Oded

2014-03-01

A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture well the binding and lateral sliding energies of planar h-BN based dimer systems as well as the interlayer telescoping and rotation of double walled boron-nitride nanotubes of different crystallographic orientations. The new potential thus allows for the accurate and efficient modeling and simulation of large-scale h-BN based layered structures.

Electrically dependent bandgaps in graphene on hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaplan, D., E-mail: daniel.b.kaplan.civ@mail.mil; Swaminathan, V.; Recine, G.

2014-03-31

We present first-principles calculations on the bandgap of graphene on a layer of hexagonal boron nitride in three different stacking configurations. Relative stability of the configurations is identified and bandgap tunability is demonstrated through the application of an external, perpendicularly applied electric field. We carefully examine the bandgap's sensitivity to both magnitude of the applied field as well as separation between the graphene and hexagonal boron nitride layers. Features of the band structure are examined and configuration-dependent relationships between the field and bandgap are revealed and elucidated through the atom-projected density of states. These findings suggest the potential for openingmore » and modulating a bandgap in graphene as high as several hundred meV.« less

2D layered insulator hexagonal boron nitride enabled surface passivation in dye sensitized solar cells.

PubMed

Shanmugam, Mariyappan; Jacobs-Gedrim, Robin; Durcan, Chris; Yu, Bin

2013-11-21

A two-dimensional layered insulator, hexagonal boron nitride (h-BN), is demonstrated as a new class of surface passivation materials in dye-sensitized solar cells (DSSCs) to reduce interfacial carrier recombination. We observe ~57% enhancement in the photo-conversion efficiency of the DSSC utilizing h-BN coated semiconductor TiO2 as compared with the device without surface passivation. The h-BN coated TiO2 is characterized by Raman spectroscopy to confirm the presence of highly crystalline, mixed monolayer/few-layer h-BN nanoflakes on the surface of TiO2. The passivation helps to minimize electron-hole recombination at the TiO2/dye/electrolyte interfaces. The DSSC with h-BN passivation exhibits significantly lower dark saturation current in the low forward bias region and higher saturation in the high forward bias region, respectively, suggesting that the interface quality is largely improved without impeding carrier transport at the material interface. The experimental results reveal that the emerging 2D layered insulator could be used for effective surface passivation in solar cell applications attributed to desirable material features such as high crystallinity and self-terminated/dangling-bond-free atomic planes as compared with high-k thin-film dielectrics.

Synthesis of Hexagonal Boron Nitride Mono layer: Control of Nucleation and Crystal Morphology

DOE PAGES

Stehle, Yijing Y.; Meyer, III, Harry M.; Unocic, Raymond R.; ...

2015-11-10

Mono layer hexagonal boron nitride (hBN) attracts significant attention due to the potential to be used as a complementary two-dimensional dielectric in fabrication of functional 2D heterostructures. Here we investigate the growth stages of the hBN single crystals and show that hBN crystals change their shape from triangular to truncated triangular and further to hexagonal depending on copper substrate distance from the precursor. We suggest that the observed hBN crystal shape variation is affected by the ratio of boron to nitrogen active species concentrations on the copper surface inside the CVD reactor. Strong temperature dependence reveals the activation energies formore » the hBN nucleation process of similar to 5 eV and crystal growth of similar to 3.5 eV. We also show that the resulting h-BN film morphology is strongly affected by the heating method of borazane precursor and the buffer gas. Elucidation of these details facilitated synthesis of high quality large area monolayer hexagonal boron nitride by atmospheric pressure chemical vapor deposition on copper using borazane as a precursor.« less

Corrosion resistance of monolayer hexagonal boron nitride on copper

PubMed Central

Mahvash, F.; Eissa, S.; Bordjiba, T.; Tavares, A. C.; Szkopek, T.; Siaj, M.

2017-01-01

Hexagonal boron nitride (hBN) is a layered material with high thermal and chemical stability ideal for ultrathin corrosion resistant coatings. Here, we report the corrosion resistance of Cu with hBN grown by chemical vapor deposition (CVD). Cyclic voltammetry measurements reveal that hBN layers inhibit Cu corrosion and oxygen reduction. We find that CVD grown hBN reduces the Cu corrosion rate by one order of magnitude compared to bare Cu, suggesting that this ultrathin layer can be employed as an atomically thin corrosion-inhibition coating. PMID:28191822

Layer speciation and electronic structure investigation of freestanding hexagonal boron nitride nanosheets

NASA Astrophysics Data System (ADS)

WangEqual Contribution To This Work., Jian; Wang, Zhiqiang; Cho, Hyunjin; Kim, Myung Jong; Sham, T. K.; Sun, Xuhui

2015-01-01

Chemical imaging, thickness mapping, layer speciation and polarization dependence have been performed on single and multilayered (up to three layers and trilayered nanosheets overlapping to form 6 and 9 layers) hexagonal boron nitride (hBN) nanosheets by scanning transmission X-ray microscopy. Spatially-resolved XANES directly from freestanding regions of different layers has been extracted and compared with sample normal and 30° tilted configurations. Notably a double feature σ* excitonic state and a stable high energy σ* state were observed at the boron site in addition to the intense π* excitonic state. The boron projected σ* DOS, especially the first σ* exciton, is sensitive to surface modification, particularly in the single layered hBN nanosheet which shows more significant detectable contaminants and defects such as tri-coordinated boron/nitrogen oxide. The nitrogen site has shown very weak or no excitonic character. The distinct excitonic effect on boron and nitrogen was interpreted to the partly ionic state of hBN. Bulk XANES of hBN nanosheets was also measured to confirm the spectro-microscopic STXM result. Finally, the unoccupied electronic structures of hBN and graphene were compared.Chemical imaging, thickness mapping, layer speciation and polarization dependence have been performed on single and multilayered (up to three layers and trilayered nanosheets overlapping to form 6 and 9 layers) hexagonal boron nitride (hBN) nanosheets by scanning transmission X-ray microscopy. Spatially-resolved XANES directly from freestanding regions of different layers has been extracted and compared with sample normal and 30° tilted configurations. Notably a double feature σ* excitonic state and a stable high energy σ* state were observed at the boron site in addition to the intense π* excitonic state. The boron projected σ* DOS, especially the first σ* exciton, is sensitive to surface modification, particularly in the single layered hBN nanosheet which shows more significant detectable contaminants and defects such as tri-coordinated boron/nitrogen oxide. The nitrogen site has shown very weak or no excitonic character. The distinct excitonic effect on boron and nitrogen was interpreted to the partly ionic state of hBN. Bulk XANES of hBN nanosheets was also measured to confirm the spectro-microscopic STXM result. Finally, the unoccupied electronic structures of hBN and graphene were compared. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr04445b

Boron nitride colloidal solutions, ultralight aerogels and freestanding membranes through one-step exfoliation and functionalization

PubMed Central

Lei, Weiwei; Mochalin, Vadym N.; Liu, Dan; Qin, Si; Gogotsi, Yury; Chen, Ying

2015-01-01

Manufacturing of aerogels and membranes from hexagonal boron nitride (h-BN) is much more difficult than from graphene or graphene oxides because of the poor dispersibility of h-BN in water, which limits its exfoliation and preparation of colloidal solutions. Here, a simple, one-step mechano-chemical process to exfoliate and functionalize h-BN into highly water-dispersible, few-layer h-BN containing amino groups is presented. The colloidal solutions of few-layer h-BN can have unprecedentedly high concentrations, up to 30 mg ml−1, and are stable for up to several months. They can be used to produce ultralight aerogels with a density of 1.4 mg cm−3, which is ∼1,500 times less than bulk h-BN, and freestanding membranes simply by cryodrying and filtration, respectively. The material shows strong blue light emission under ultraviolet excitation, in both dispersed and dry state. PMID:26611437

A hybrid MBE-based growth method for large-area synthesis of stacked hexagonal boron nitride/graphene heterostructures

NASA Astrophysics Data System (ADS)

Wofford, Joseph M.; Nakhaie, Siamak; Krause, Thilo; Liu, Xianjie; Ramsteiner, Manfred; Hanke, Michael; Riechert, Henning; J. Lopes, J. Marcelo

2017-02-01

Van der Waals heterostructures combining hexagonal boron nitride (h-BN) and graphene offer many potential advantages, but remain difficult to produce as continuous films over large areas. In particular, the growth of h-BN on graphene has proven to be challenging due to the inertness of the graphene surface. Here we exploit a scalable molecular beam epitaxy based method to allow both the h-BN and graphene to form in a stacked heterostructure in the favorable growth environment provided by a Ni(111) substrate. This involves first saturating a Ni film on MgO(111) with C, growing h-BN on the exposed metal surface, and precipitating the C back to the h-BN/Ni interface to form graphene. The resulting laterally continuous heterostructure is composed of a top layer of few-layer thick h-BN on an intermediate few-layer thick graphene, lying on top of Ni/MgO(111). Examinations by synchrotron-based grazing incidence diffraction, X-ray photoemission spectroscopy, and UV-Raman spectroscopy reveal that while the h-BN is relaxed, the lattice constant of graphene is significantly reduced, likely due to nitrogen doping. These results illustrate a different pathway for the production of h-BN/graphene heterostructures, and open a new perspective for the large-area preparation of heterosystems combining graphene and other 2D or 3D materials.

Ultrasound exfoliation of inorganic analogues of graphene

PubMed Central

2014-01-01

High-intensity ultrasound exfoliation of a bulk-layered material is an attractive route for large-scale preparation of monolayers. The monolayer slices could potentially be prepared with a high yield (up to 100%) in a few minutes. Exfoliation of natural minerals (such as tungstenite and molybdenite) or bulk synthetic materials (including hexagonal boron nitride (h-BN), hexagonal boron carbon nitride (h-BCN), and graphitic carbon nitride (g-C3N4)) in liquids leads to the breakdown of the 3D graphitic structure into a 2D structure; the efficiency of this process is highly dependent upon the physical effects of the ultrasound. Atomic force microscopy (AFM), transmission electron microscopy (TEM), and selected area electron diffraction (SAED) were employed to verify the quality of the exfoliation. Herein, this new method of exfoliation with ultrasound assistance for application to mono- and bilayered materials in hydrophobic and hydrophilic environments is presented. PMID:24708572

Ultrasound exfoliation of inorganic analogues of graphene.

PubMed

Stengl, Václav; Henych, Jiří; Slušná, Michaela; Ecorchard, Petra

2014-04-05

High-intensity ultrasound exfoliation of a bulk-layered material is an attractive route for large-scale preparation of monolayers. The monolayer slices could potentially be prepared with a high yield (up to 100%) in a few minutes. Exfoliation of natural minerals (such as tungstenite and molybdenite) or bulk synthetic materials (including hexagonal boron nitride (h-BN), hexagonal boron carbon nitride (h-BCN), and graphitic carbon nitride (g-C3N4)) in liquids leads to the breakdown of the 3D graphitic structure into a 2D structure; the efficiency of this process is highly dependent upon the physical effects of the ultrasound. Atomic force microscopy (AFM), transmission electron microscopy (TEM), and selected area electron diffraction (SAED) were employed to verify the quality of the exfoliation. Herein, this new method of exfoliation with ultrasound assistance for application to mono- and bilayered materials in hydrophobic and hydrophilic environments is presented.

Transport measurements on monolayer and few-layer WSe2

NASA Astrophysics Data System (ADS)

Palomaki, Tauno; Zhao, Wenjin; Finney, Joe; Fei, Zaiyao; Nguyen, Paul; McKay, Frank; Cobden, David

The behavior of the electrical contacts often dominates transport measurements in mono and few-layer transition metal dichalcogenide (TMD) devices. Creating good contacts for some TMDs is particularly challenging since the fabrication procedure should prevent the TMD from oxidizing or chemically interacting with the contacts. In this talk, we discuss our progress on creating mono and few-layer WSe2 devices with both good electrical contacts and minimal effects from the substrate, polymer contamination, oxidation and other chemistry. For example, we have developed a technique for encapsulating metallic contacts and WSe2 flakes together in hexagonal boron nitride with multiple gates to separate and control the contributions from the channel and the Schottky barriers at the contacts. Research supported in part by Samsung GRO grant US 040814

Room temperature rubbing for few-layer two-dimensional thin flakes directly on flexible polymer substrates

PubMed Central

Yu, Yan; Jiang, Shenglin; Zhou, Wenli; Miao, Xiangshui; Zeng, Yike; Zhang, Guangzu; Liu, Sisi

2013-01-01

The functional layers of few-layer two-dimensional (2-D) thin flakes on flexible polymers for stretchable applications have attracted much interest. However, most fabrication methods are “indirect” processes that require transfer steps. Moreover, previously reported “transfer-free” methods are only suitable for graphene and not for other few-layer 2-D thin flakes. Here, a friction based room temperature rubbing method is proposed for fabricating different types of few-layer 2-D thin flakes (graphene, hexagonal boron nitride (h-BN), molybdenum disulphide (MoS2), and tungsten disulphide (WS2)) on flexible polymer substrates. Commercial 2-D raw materials (graphite, h-BN, MoS2, and WS2) that contain thousands of atom layers were used. After several minutes, different types of few-layer 2-D thin flakes were fabricated directly on the flexible polymer substrates by rubbing procedures at room temperature and without any transfer step. These few-layer 2-D thin flakes strongly adhere to the flexible polymer substrates. This strong adhesion is beneficial for future applications. PMID:24045289

Catalyst-free one step synthesis of large area vertically stacked N-doped graphene-boron nitride heterostructures from biomass source.

PubMed

Esteve-Adell, Ivan; He, Jinbao; Ramiro, Fernando; Atienzar, Pedro; Primo, Ana; García, Hermenegildo

2018-03-01

A procedure for the one-step preparation of films of few-layer N-doped graphene on top of nanometric hexagonal boron nitride sheets ((N)graphene/h-BN) based on the pyrolysis at 900 °C under an inert atmosphere of a film of chitosan containing about 20 wt% of ammonium borate salt as a precursor is reported. During the pyrolysis a spontaneous segregation of (N)graphene and boron nitride layers takes place. The films were characterized by optical microscopy that shows a thin graphene overlayer covering the boron nitride layer, the latter showing characteristic cracks, and by XPS measurements at different monitoring angles from 0° to 50° where an increase in the proportion of C vs. B and N was observed. The resulting (N)graphene/h-BN films were also characterized by Raman, HRTEM, SEM, FIB-SEM and AFM. The thickness of the (N)graphene and h-BN layers can be controlled by varying the concentration of precursors and the spin coating rate and is typically below 5 nm. Electrical conductivity measurements using microelectrodes can cause the burning of the graphene layer at high intensities, while lower intensities show that (N)graphene/h-BN films behave as capacitors in the range of positive voltages.

Atomically Thin Hexagonal Boron Nitride Nanofilm for Cu Protection: The Importance of Film Perfection.

PubMed

Khan, Majharul Haque; Jamali, Sina S; Lyalin, Andrey; Molino, Paul J; Jiang, Lei; Liu, Hua Kun; Taketsugu, Tetsuya; Huang, Zhenguo

2017-01-01

Outstanding protection of Cu by high-quality boron nitride nanofilm (BNNF) 1-2 atomic layers thick in salt water is observed, while defective BNNF accelerates the reaction of Cu toward water. The chemical stability, insulating nature, and impermeability of ions through the BN hexagons render BNNF a great choice for atomic-scale protection. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure and Growth of Hexagonal Boron Nitride on Ir(111).

PubMed

Farwick Zum Hagen, Ferdinand H; Zimmermann, Domenik M; Silva, Caio C; Schlueter, Christoph; Atodiresei, Nicolae; Jolie, Wouter; Martínez-Galera, Antonio J; Dombrowski, Daniela; Schröder, Ulrike A; Will, Moritz; Lazić, Predrag; Caciuc, Vasile; Blügel, Stefan; Lee, Tien-Lin; Michely, Thomas; Busse, Carsten

2016-12-27

Using the X-ray standing wave method, scanning tunneling microscopy, low energy electron diffraction, and density functional theory, we precisely determine the lateral and vertical structure of hexagonal boron nitride on Ir(111). The moiré superstructure leads to a periodic arrangement of strongly chemisorbed valleys in an otherwise rather flat, weakly physisorbed plane. The best commensurate approximation of the moiré unit cell is (12 × 12) boron nitride cells resting on (11 × 11) substrate cells, which is at variance with several earlier studies. We uncover the existence of two fundamentally different mechanisms of layer formation for hexagonal boron nitride, namely, nucleation and growth as opposed to network formation without nucleation. The different pathways are linked to different distributions of rotational domains, and the latter enables selection of a single orientation only.

Single-Photon Emitters in Boron Nitride Nanococoons.

PubMed

Ziegler, Joshua; Blaikie, Andrew; Fathalizadeh, Aidin; Miller, David; Yasin, Fehmi S; Williams, Kerisha; Mohrhardt, Jordan; McMorran, Benjamin J; Zettl, Alex; Alemán, Benjamín

2018-04-11

Quantum emitters in two-dimensional hexagonal boron nitride (hBN) are attractive for a variety of quantum and photonic technologies because they combine ultra-bright, room-temperature single-photon emission with an atomically thin crystal. However, the emitter's prominence is hindered by large, strain-induced wavelength shifts. We report the discovery of a visible-wavelength, single-photon emitter (SPE) in a zero-dimensional boron nitride allotrope (the boron nitride nanococoon, BNNC) that retains the excellent optical characteristics of few-layer hBN while possessing an emission line variation that is lower by a factor of 5 than the hBN emitter. We determined the emission source to be the nanometer-size BNNC through the cross-correlation of optical confocal microscopy with high-resolution scanning and transmission electron microscopy. Altogether, this discovery enlivens color centers in BN materials and, because of the BN nanococoon's size, opens new and exciting opportunities in nanophotonics, quantum information, biological imaging, and nanoscale sensing.

Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters.

PubMed

Torre, A La; Åhlgren, E H; Fay, M W; Ben Romdhane, F; Skowron, S T; Parmenter, C; Davies, A J; Jouhannaud, J; Pourroy, G; Khlobystov, A N; Brown, P D; Besley, E; Banhart, F

2016-08-11

We report on the growth and formation of single-layer boron nitride dome-shaped nanostructures mediated by small iron clusters located on flakes of hexagonal boron nitride. The nanostructures were synthesized in situ at high temperature inside a transmission electron microscope while the e-beam was blanked. The formation process, typically originating at defective step-edges on the boron nitride support, was investigated using a combination of transmission electron microscopy, electron energy loss spectroscopy and computational modelling. Computational modelling showed that the domes exhibit a nanotube-like structure with flat circular caps and that their stability was comparable to that of a single boron nitride layer.

A platform for large-scale graphene electronics--CVD growth of single-layer graphene on CVD-grown hexagonal boron nitride.

PubMed

Wang, Min; Jang, Sung Kyu; Jang, Won-Jun; Kim, Minwoo; Park, Seong-Yong; Kim, Sang-Woo; Kahng, Se-Jong; Choi, Jae-Young; Ruoff, Rodney S; Song, Young Jae; Lee, Sungjoo

2013-05-21

Direct chemical vapor deposition (CVD) growth of single-layer graphene on CVD-grown hexagonal boron nitride (h-BN) film can suggest a large-scale and high-quality graphene/h-BN film hybrid structure with a defect-free interface. This sequentially grown graphene/h-BN film shows better electronic properties than that of graphene/SiO2 or graphene transferred on h-BN film, and suggests a new promising template for graphene device fabrication. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Continuous Growth of Hexagonal Graphene and Boron Nitride In-Plane Heterostructures by Atmospheric Pressure Chemical Vapor Deposition

PubMed Central

Han, Gang Hee; Rodríguez-Manzo, Julio A.; Lee, Chan-Woo; Kybert, Nicholas J.; Lerner, Mitchell B.; Qi, Zhengqing John; Dattoli, Eric N.; Rappe, Andrew M.; Drndic, Marija; Charlie Johnson, A. T.

2013-01-01

Graphene-boron nitride monolayer heterostructures contain adjacent electrically active and insulating regions in a continuous, single-atom thick layer. To date structures were grown at low pressure, resulting in irregular shapes and edge direction, so studies of the graphene-boron nitride interface were restricted to microscopy of nano-domains. Here we report templated growth of single crystalline hexagonal boron nitride directly from the oriented edge of hexagonal graphene flakes by atmospheric pressure chemical vapor deposition, and physical property measurements that inform the design of in-plane hybrid electronics. Ribbons of boron nitride monolayer were grown from the edge of a graphene template and inherited its crystallographic orientation. The relative sharpness of the interface was tuned through control of growth conditions. Frequent tearing at the graphene-boron nitride interface was observed, so density functional theory was used to determine that the nitrogen-terminated interface was prone to instability during cool down. The electronic functionality of monolayer heterostructures was demonstrated through fabrication of field effect transistors with boron nitride as an in-plane gate dielectric. PMID:24182310

Continuous growth of hexagonal graphene and boron nitride in-plane heterostructures by atmospheric pressure chemical vapor deposition.

PubMed

Han, Gang Hee; Rodríguez-Manzo, Julio A; Lee, Chan-Woo; Kybert, Nicholas J; Lerner, Mitchell B; Qi, Zhengqing John; Dattoli, Eric N; Rappe, Andrew M; Drndic, Marija; Johnson, A T Charlie

2013-11-26

Graphene-boron nitride monolayer heterostructures contain adjacent electrically active and insulating regions in a continuous, single-atom thick layer. To date structures were grown at low pressure, resulting in irregular shapes and edge direction, so studies of the graphene-boron nitride interface were restricted to the microscopy of nanodomains. Here we report templated growth of single crystalline hexagonal boron nitride directly from the oriented edge of hexagonal graphene flakes by atmospheric pressure chemical vapor deposition, and physical property measurements that inform the design of in-plane hybrid electronics. Ribbons of boron nitride monolayer were grown from the edge of a graphene template and inherited its crystallographic orientation. The relative sharpness of the interface was tuned through control of growth conditions. Frequent tearing at the graphene-boron nitride interface was observed, so density functional theory was used to determine that the nitrogen-terminated interface was prone to instability during cool down. The electronic functionality of monolayer heterostructures was demonstrated through fabrication of field effect transistors with boron nitride as an in-plane gate dielectric.

Magnetic tunnel junctions with monolayer hexagonal boron nitride tunnel barriers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piquemal-Banci, M.; Galceran, R.; Bouzehouane, K.

We report on the integration of atomically thin 2D insulating hexagonal boron nitride (h-BN) tunnel barriers into Co/h-BN/Fe magnetic tunnel junctions (MTJs). The h-BN monolayer is directly grown by chemical vapor deposition on Fe. The Conductive Tip Atomic Force Microscopy (CT-AFM) measurements reveal the homogeneity of the tunnel behavior of our h-BN layers. As expected for tunneling, the resistance depends exponentially on the number of h-BN layers. The h-BN monolayer properties are also characterized through integration into complete MTJ devices. A Tunnel Magnetoresistance of up to 6% is observed for a MTJ based on a single atomically thin h-BN layer.

Frictional Magneto-Coulomb Drag in Graphene Double-Layer Heterostructures.

PubMed

Liu, Xiaomeng; Wang, Lei; Fong, Kin Chung; Gao, Yuanda; Maher, Patrick; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Dean, Cory; Kim, Philip

2017-08-04

Coulomb interaction between two closely spaced parallel layers of conductors can generate the frictional drag effect by interlayer Coulomb scattering. Employing graphene double layers separated by few-layer hexagonal boron nitride, we investigate density tunable magneto- and Hall drag under strong magnetic fields. The observed large magnetodrag and Hall-drag signals can be related with Laudau level filling status of the drive and drag layers. We find that the sign and magnitude of the drag resistivity tensor can be quantitatively correlated to the variation of magnetoresistivity tensors in the drive and drag layers, confirming a theoretical formula for magnetodrag in the quantum Hall regime. The observed weak temperature dependence and ∼B^{2} dependence of the magnetodrag are qualitatively explained by Coulomb scattering phase-space argument.

Effects of deposition temperature and ammonia flow on metal-organic chemical vapor deposition of hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Rice, Anthony; Allerman, Andrew; Crawford, Mary; Beechem, Thomas; Ohta, Taisuke; Spataru, Catalin; Figiel, Jeffrey; Smith, Michael

2018-03-01

The use of metal-organic chemical vapor deposition at high temperature is investigated as a means to produce epitaxial hexagonal boron nitride (hBN) at the wafer scale. Several categories of hBN films were found to exist based upon precursor flows and deposition temperature. Low, intermediate, and high NH3 flow regimes were found to lead to fundamentally different deposition behaviors. The low NH3 flow regimes yielded discolored films of boron sub-nitride. The intermediate NH3 flow regime yielded stoichiometric films that could be deposited as thick films. The high NH3 flow regime yielded self-limited deposition with thicknesses limited to a few mono-layers. A Langmuir-Hinshelwood mechanism is proposed to explain the onset of self-limited behavior for the high NH3 flow regime. Photoluminescence characterization determined that the intermediate and high NH3 flow regimes could be further divided into low and high temperature behaviors with a boundary at 1500 °C. Films deposited with both high NH3 flow and high temperature exhibited room temperature free exciton emission at 210 nm and 215.9 nm.

Electronic transport in heterostructures of chemical vapor deposited graphene and hexagonal boron nitride.

PubMed

Qi, Zhengqing John; Hong, Sung Ju; Rodríguez-Manzo, Julio A; Kybert, Nicholas J; Gudibande, Rajatesh; Drndić, Marija; Park, Yung Woo; Johnson, A T Charlie

2015-03-25

CVD graphene devices on stacked CVD hexagonal boron nitride (hBN) are demonstrated using a novel low-contamination transfer method, and their electrical performance is systematically compared to devices on SiO(2). An order of magnitude improvement in mobility, sheet resistivity, current density, and sustained power is reported when the oxide substrate is covered with five-layer CVD hBN. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis of Few-Layer, Large Area Hexagonal-Boron Nitride by Pulsed Laser Deposition (POSTPRINT)

DTIC Science & Technology

2014-09-01

methods. Analysis of the as-deposited films reveals epitaxial- like growth on the nearly lattice matched HOPG substrate, resulting in a polycrystalline ɦ...epitaxial like growth on the nearly lattice matched HOPG substrate, resulting in a polycrystalline h BN film, and amorphous BN (a BN) on the sapphire...BNxOy observed as a shoulder on the B 1s spectra is seen in other polycrystalline h BN films [16], and is most likely due to exposure to ambient

Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects

NASA Astrophysics Data System (ADS)

Lee, Junsu; Kim, Minjung; Chelikowsky, James R.; Kim, Gunn

2016-07-01

Using ab initio density functional calculations, we predict subatomic-resolution atomic force microscopy (AFM) and scanning tunneling microscopy (STM) images of vertical heterostructures of graphene/hexagonal boron nitride (h-BN) with an intercalated metal atom (Li, K, Cr, Mn, Co, or Cu), and study the effects of the extrinsic metal defect on the interfacial coupling. We find that the structural deformation of the graphene/h-BN layer caused by the metal defect strongly affects the AFM images, whereas orbital hybridization between the metal defect and the graphene/h-BN layer characterizes the STM images.

Effect of polymer residues on the electrical properties of large-area graphene–hexagonal boron nitride planar heterostructures

DOE PAGES

Voyloy, Dimitry; Lassiter, Matthew G.; Sokolov, Alexei P.; ...

2017-06-19

Polymer residue plays an important role in the performance of 2D heterostructured materials. Herein, we study the effect of polymer residual impurities on the electrical properties of graphene–boron nitride planar heterostructures. Large-area graphene (Gr) and hexagonal boron nitride (h-BN) monolayers were synthesized using chemical vapor deposition techniques. Atomic van-der-Waals heterostructure layers based on varied configurations of Gr and h-BN layers were assembled. The average interlayer resistance of the heterojunctions over a 1 cm 2 area for several planar heterostructure configurations was assessed by impedance spectroscopy and modeled by equivalent electrical circuits. As a result, conductive AFM measurements showed that themore » presence of polymer residues on the surface of the Gr and h-BN monolayers resulted in significant resistance deviations over nanoscale regions.« less

Effect of polymer residues on the electrical properties of large-area graphene–hexagonal boron nitride planar heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Voyloy, Dimitry; Lassiter, Matthew G.; Sokolov, Alexei P.

Polymer residue plays an important role in the performance of 2D heterostructured materials. Herein, we study the effect of polymer residual impurities on the electrical properties of graphene–boron nitride planar heterostructures. Large-area graphene (Gr) and hexagonal boron nitride (h-BN) monolayers were synthesized using chemical vapor deposition techniques. Atomic van-der-Waals heterostructure layers based on varied configurations of Gr and h-BN layers were assembled. The average interlayer resistance of the heterojunctions over a 1 cm 2 area for several planar heterostructure configurations was assessed by impedance spectroscopy and modeled by equivalent electrical circuits. As a result, conductive AFM measurements showed that themore » presence of polymer residues on the surface of the Gr and h-BN monolayers resulted in significant resistance deviations over nanoscale regions.« less

Quantum transport through MoS2 constrictions defined by photodoping.

PubMed

Epping, Alexander; Banszerus, Luca; Güttinger, Johannes; Krückeberg, Luisa; Watanabe, Kenji; Taniguchi, Takashi; Hassler, Fabian; Beschoten, Bernd; Stampfer, Christoph

2018-05-23

We present a device scheme to explore mesoscopic transport through molybdenum disulfide (MoS 2 ) constrictions using photodoping. The devices are based on van-der-Waals heterostructures where few-layer MoS 2 flakes are partially encapsulated by hexagonal boron nitride (hBN) and covered by a few-layer graphene flake to fabricate electrical contacts. Since the as-fabricated devices are insulating at low temperatures, we use photo-induced remote doping in the hBN substrate to create free charge carriers in the MoS 2 layer. On top of the device, we place additional metal structures, which define the shape of the constriction and act as shadow masks during photodoping of the underlying MoS 2 /hBN heterostructure. Low temperature two- and four-terminal transport measurements show evidence of quantum confinement effects.

Quantum transport through MoS2 constrictions defined by photodoping

NASA Astrophysics Data System (ADS)

Epping, Alexander; Banszerus, Luca; Güttinger, Johannes; Krückeberg, Luisa; Watanabe, Kenji; Taniguchi, Takashi; Hassler, Fabian; Beschoten, Bernd; Stampfer, Christoph

2018-05-01

We present a device scheme to explore mesoscopic transport through molybdenum disulfide (MoS2) constrictions using photodoping. The devices are based on van-der-Waals heterostructures where few-layer MoS2 flakes are partially encapsulated by hexagonal boron nitride (hBN) and covered by a few-layer graphene flake to fabricate electrical contacts. Since the as-fabricated devices are insulating at low temperatures, we use photo-induced remote doping in the hBN substrate to create free charge carriers in the MoS2 layer. On top of the device, we place additional metal structures, which define the shape of the constriction and act as shadow masks during photodoping of the underlying MoS2/hBN heterostructure. Low temperature two- and four-terminal transport measurements show evidence of quantum confinement effects.

Direct growth of nanocrystalline hexagonal boron nitride films on dielectric substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tay, Roland Yingjie; Temasek Laboratories@NTU, 50 Nanyang Avenue, Singapore, Singapore 639798; Tsang, Siu Hon

Atomically thin hexagonal-boron nitride (h-BN) films are primarily synthesized through chemical vapor deposition (CVD) on various catalytic transition metal substrates. In this work, a single-step metal-catalyst-free approach to obtain few- to multi-layer nanocrystalline h-BN (NCBN) directly on amorphous SiO{sub 2}/Si and quartz substrates is demonstrated. The as-grown thin films are continuous and smooth with no observable pinholes or wrinkles across the entire deposited substrate as inspected using optical and atomic force microscopy. The starting layers of NCBN orient itself parallel to the substrate, initiating the growth of the textured thin film. Formation of NCBN is due to the random andmore » uncontrolled nucleation of h-BN on the dielectric substrate surface with no epitaxial relation, unlike on metal surfaces. The crystallite size is ∼25 nm as determined by Raman spectroscopy. Transmission electron microscopy shows that the NCBN formed sheets of multi-stacked layers with controllable thickness from ∼2 to 25 nm. The absence of transfer process in this technique avoids any additional degradation, such as wrinkles, tears or folding and residues on the film which are detrimental to device performance. This work provides a wider perspective of CVD-grown h-BN and presents a viable route towards large-scale manufacturing of h-BN substrates and for coating applications.« less

Epitaxial growth of hexagonal boron nitride monolayers by a three-step boration-oxidation-nitration process

NASA Astrophysics Data System (ADS)

Müller, Frank; Hüfner, Stefan; Sachdev, Hermann; Gsell, Stefan; Schreck, Matthias

2010-08-01

The formation of well-ordered monolayers of hexagonal boron nitride on the surface of a Rh/YSZ/Si(111) multilayer substrate via a three-step boration-oxidation-nitration process was investigated by x-ray photoelectron spectroscopy (XPS), x-ray photoelectron diffraction (XPD) and low-energy electron diffraction (LEED). The chemical vapor deposition (CVD) of trimethylborate B(OCH3)3 results in a selective decomposition of the precursor, leading to a dilute distribution of boron within the interstitials of the Rh lattice. After oxidation, the layer of a boron oxygen species of about 1 nm thickness can be transformed into a hexagonal monolayer of BN by annealing in NH3 atmosphere. The results of the present study clearly show that the formation of BN monolayers is also possible when boron and nitrogen are provided successively from separate sources. This procedure represents an alternative routine for the preparation of well-ordered BN monolayers, which benefits from a strong reduction of hazardous potential and economic costs compared to the use of borazine as the current standard precursor.

Evidence for Defect-Mediated Tunneling in Hexagonal Boron Nitride-Based Junctions.

PubMed

Chandni, U; Watanabe, K; Taniguchi, T; Eisenstein, J P

2015-11-11

We investigate electron tunneling through atomically thin layers of hexagonal boron nitride (hBN). Metal (Cr/Au) and semimetal (graphite) counter-electrodes are employed. While the direct tunneling resistance increases nearly exponentially with barrier thickness as expected, the thicker junctions also exhibit clear signatures of Coulomb blockade, including strong suppression of the tunnel current around zero bias and step-like features in the current at larger biases. The voltage separation of these steps suggests that single-electron charging of nanometer-scale defects in the hBN barrier layer are responsible for these signatures. We find that annealing the metal-hBN-metal junctions removes these defects and the Coulomb blockade signatures in the tunneling current.

Interface amorphization in hexagonal boron nitride films on sapphire substrate grown by metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Yang, Xu; Nitta, Shugo; Pristovsek, Markus; Liu, Yuhuai; Nagamatsu, Kentaro; Kushimoto, Maki; Honda, Yoshio; Amano, Hiroshi

2018-05-01

Hexagonal boron nitride (h-BN) films directly grown on c-plane sapphire substrates by pulsed-mode metalorganic vapor phase epitaxy exhibit an interlayer for growth temperatures above 1200 °C. Cross-sectional transmission electron microscopy shows that this interlayer is amorphous, while the crystalline h-BN layer above has a distinct orientational relationship with the sapphire substrate. Electron energy loss spectroscopy shows the energy-loss peaks of B and N in both the amorphous interlayer and the overlying crystalline h-BN layer, while Al and O signals are also seen in the amorphous interlayer. Thus, the interlayer forms during h-BN growth through the decomposition of the sapphire at elevated temperatures.

Controlled Synthesis of Atomically Layered Hexagonal Boron Nitride via Chemical Vapor Deposition.

PubMed

Liu, Juanjuan; Kutty, R Govindan; Liu, Zheng

2016-11-29

Hexagonal boron nitrite (h-BN) is an attractive material for many applications including electronics as a complement to graphene, anti-oxidation coatings, light emitters, etc. However, the synthesis of high-quality h-BN is still a great challenge. In this work, via controlled chemical vapor deposition, we demonstrate the synthesis of h-BN films with a controlled thickness down to atomic layers. The quality of as-grown h-BN is confirmed by complementary characterizations including high-resolution transition electron microscopy, atomic force microscopy, Raman spectroscopy and X-ray photo-electron spectroscopy. This work will pave the way for production of large-scale and high-quality h-BN and its applications as well.

Hyperbolic phonon polaritons in hexagonal boron nitride (Conference Presentation)

NASA Astrophysics Data System (ADS)

Dai, Siyuan; Ma, Qiong; Fei, Zhe; Liu, Mengkun; Goldflam, Michael D.; Andersen, Trond; Garnett, William; Regan, Will; Wagner, Martin; McLeod, Alexander S.; Rodin, Alexandr; Zhu, Shou-En; Watanabe, Kenji; Taniguchi, T.; Dominguez, Gerado; Thiemens, Mark; Castro Neto, Antonio H.; Janssen, Guido C. A. M.; Zettl, Alex; Keilmann, Fritz; Jarillo-Herrero, Pablo; Fogler, Michael M.; Basov, Dmitri N.

2016-09-01

Uniaxial materials whose axial and tangential permittivities have opposite signs are referred to as indefinite or hyperbolic media. While hyperbolic responses are normally achieved with metamaterials, hexagonal boron nitride (hBN) naturally possesses this property due to the anisotropic phonons in the mid-infrared. Using scattering-type scanning near-field optical microscopy, we studied polaritonic phenomena in hBN. We performed infrared nano-imaging of highly confined and low-loss hyperbolic phonon polaritons in hBN. The polariton wavelength was shown to be governed by the hBN thickness according to a linear law persisting down to few atomic layers [1]. Additionally, we carried out the modification of hyperbolic response in meta-structures comprised of a mononlayer graphene deposited on hBN [2]. Electrostatic gating of the top graphene layer allows for the modification of wavelength and intensity of hyperbolic phonon polaritons in bulk hBN. The physics of the modification originates from the plasmon-phonon coupling in the hyperbolic medium. Furthermore, we demonstrated the "hyperlens" for subdiffractional focusing and imaging using a slab of hBN [3]. References [1] S. Dai et al., Science, 343, 1125 (2014). [2] S. Dai et al., Nature Nanotechnology, 10, 682 (2015). [3] S. Dai et al., Nature Communications, 6, 6963 (2015).

Wafer-Scale and Wrinkle-Free Epitaxial Growth of Single-Orientated Multilayer Hexagonal Boron Nitride on Sapphire.

PubMed

Jang, A-Rang; Hong, Seokmo; Hyun, Chohee; Yoon, Seong In; Kim, Gwangwoo; Jeong, Hu Young; Shin, Tae Joo; Park, Sung O; Wong, Kester; Kwak, Sang Kyu; Park, Noejung; Yu, Kwangnam; Choi, Eunjip; Mishchenko, Artem; Withers, Freddie; Novoselov, Kostya S; Lim, Hyunseob; Shin, Hyeon Suk

2016-05-11

Large-scale growth of high-quality hexagonal boron nitride has been a challenge in two-dimensional-material-based electronics. Herein, we present wafer-scale and wrinkle-free epitaxial growth of multilayer hexagonal boron nitride on a sapphire substrate by using high-temperature and low-pressure chemical vapor deposition. Microscopic and spectroscopic investigations and theoretical calculations reveal that synthesized hexagonal boron nitride has a single rotational orientation with AA' stacking order. A facile method for transferring hexagonal boron nitride onto other target substrates was developed, which provides the opportunity for using hexagonal boron nitride as a substrate in practical electronic circuits. A graphene field effect transistor fabricated on our hexagonal boron nitride sheets shows clear quantum oscillation and highly improved carrier mobility because the ultraflatness of the hexagonal boron nitride surface can reduce the substrate-induced degradation of the carrier mobility of two-dimensional materials.

Scaling of graphene field-effect transistors supported on hexagonal boron nitride: radio-frequency stability as a limiting factor

NASA Astrophysics Data System (ADS)

Feijoo, Pedro C.; Pasadas, Francisco; Iglesias, José M.; Martín, María J.; Rengel, Raúl; Li, Changfeng; Kim, Wonjae; Riikonen, Juha; Lipsanen, Harri; Jiménez, David

2017-12-01

The quality of graphene in nanodevices has increased hugely thanks to the use of hexagonal boron nitride as a supporting layer. This paper studies to which extent hBN together with channel length scaling can be exploited in graphene field-effect transistors (GFETs) to get a competitive radio-frequency (RF) performance. Carrier mobility and saturation velocity were obtained from an ensemble Monte Carlo simulator that accounted for the relevant scattering mechanisms (intrinsic phonons, scattering with impurities and defects, etc). This information is fed into a self-consistent simulator, which solves the drift-diffusion equation coupled with the two-dimensional Poisson’s equation to take full account of short channel effects. Simulated GFET characteristics were benchmarked against experimental data from our fabricated devices. Our simulations show that scalability is supposed to bring to RF performance an improvement that is, however, highly limited by instability. Despite the possibility of a lower performance, a careful choice of the bias point can avoid instability. Nevertheless, maximum oscillation frequencies are still achievable in the THz region for channel lengths of a few hundreds of nanometers.

Electron tunneling through atomically flat and ultrathin hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Lee, Gwan-Hyoung; Yu, Young-Jun; Lee, Changgu; Dean, Cory; Shepard, Kenneth L.; Kim, Philip; Hone, James

2011-12-01

Electron tunneling through atomically flat and ultrathin hexagonal boron nitride (h-BN) on gold-coated mica was investigated using conductive atomic force microscopy. Low-bias direct tunneling was observed in mono-, bi-, and tri-layer h-BN. For all thicknesses, Fowler-Nordheim tunneling (FNT) occurred at high bias, showing an increase of breakdown voltage with thickness. Based on the FNT model, the barrier height for tunneling (3.07 eV) and dielectric strength (7.94 MV/cm) of h-BN are obtained; these values are comparable to those of SiO2.

Rich interfacial chemistry and properties of carbon-doped hexagonal boron nitride nanosheets revealed by electronic structure calculations

NASA Astrophysics Data System (ADS)

Xie, Wei; Tamura, Takahiro; Yanase, Takashi; Nagahama, Taro; Shimada, Toshihiro

2018-04-01

The effect of C doping to hexagonal boron nitride (h-BN) to its electronic structure is examined by first principles calculations using the association from π-electron systems of organic molecules embedded in a two-dimensional insulator. In a monolayered carbon-doped structure, odd-number doping with carbon atoms confers metallic properties with different work functions. Various electronic interactions occur between two layers with odd-number carbon substitution. A direct sp3 covalent chemical bond is formed when C replaces adjacent B and N in different layers. A charge transfer complex between layers is found when C replaces B and N in the next-neighboring region, which results in narrower band gaps (e.g., 0.37 eV). Direct bonding between C and B atoms is found when two C atoms in different layers are at a certain distance.

Hexagonal boron nitride intercalated multi-layer graphene: a possible ultimate solution to ultra-scaled interconnect technology

NASA Astrophysics Data System (ADS)

Li, Yong-Jun; Sun, Qing-Qing; Chen, Lin; Zhou, Peng; Wang, Peng-Fei; Ding, Shi-Jin; Zhang, David Wei

2012-03-01

We proposed intercalation of hexagonal boron nitride (hBN) in multilayer graphene to improve its performance in ultra-scaled interconnects for integrated circuit. The effect of intercalated hBN layer in bilayer graphene is investigated using non-equilibrium Green's functions. We find the hBN intercalated bilayer graphene exhibit enhanced transport properties compared with pristine bilayer ones, and the improvement is attributed to suppression of interlayer scattering and good planar bonding condition of inbetween hBN layer. Based on these results, we proposed a via structure that not only benefits from suppressed interlayer scattering between multilayer graphene, but also sustains the unique electrical properties of graphene when many graphene layers are stacking together. The ideal current density across the structure can be as high as 4.6×109 A/cm2 at 1V, which is very promising for the future high-performance interconnect.

Raman study of annealed two-dimensional heterostructure of graphene on hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Souibgui, Mourad; Ajlani, Hosni; Cavanna, Antonnella; Oueslati, Meherzi; Meftah, Abdelaziz; Madouri, Ali

2017-12-01

In this paper, we investigate stacked 2D graphene layers on hexagonal boron nitride (h-BN). The graphene is obtained by high-quality chemical vapor deposition (CVD) and transferred to the h-BN substrate. We focus our attention on annealing effect at 1040 °C on single graphene layer (SGL) and bilayer graphene (BLG) on h-BN substrate using Raman spectroscopy. Our results show, before annealing, a twist angle θ = 0.63 ° between the SGL and the h-BN substrate and a twist angle 3 ° <θG1G2 < 8 ° between the two graphene layers of the BLG. After annealing, the analysis of the graphene G and 2D bands show a rotational reorientation of the graphene layer with respect to the h-BN substrate. Raman mapping also shows that the rotational reorientation is spatially dependent.

Functionalized white graphene - Copper oxide nanocomposite: Synthesis, characterization and application as catalyst for thermal decomposition of ammonium perchlorate.

PubMed

Paulose, Sanoop; Raghavan, Rajeev; George, Benny K

2017-05-15

Reactivity is of great importance for metal oxide nanoparticles (MONP) used as catalysts and advanced materials, but seeking for higher reactivity seems to be conflict with high chemical stability required for MONP. There is direct balance between reactivity and stability of these MONP. This could be acheived for metal oxide by dispersing them in a substrate. Here, we report a simple, efficient and high-yield process for the production of copper oxide (CuO) nanoparticles dispersed on a chemically inert material, few-layer hexagonal boron nitride (h-BN) with a thickness around 1.7nm and lateral dimensions mostly below 200nm. The mechano-chemical reaction which take place at atmospheric pressure and room temperature involves a urea assisted exfoliation of pristine boron nitride. Copper oxide nanoparticles dispersed on the surface of these few layered h-BN reduced its tendency for aggregation. The optimum concentration of CuO:h-BN was found to be 2:1 which shows highest catalytic activity for the thermal decomposition of ammonium perchlorate. The high catalytic activity of the in situ synthesized CuO-h-BN composite may be attributed to uniform distribution of CuO nanoparticles on the few layered h-BN which in turn provide a number of active sites on the surface due to non aggregation. Copyright © 2017 Elsevier Inc. All rights reserved.

Controlled Gas Exfoliation of Boron Nitride into Few-Layered Nanosheets

DOE PAGES

Zhu, Wenshuai; Gao, Xiang; Li, Qian; ...

2016-07-22

The controlled exfoliation of hexagonal boron nitride (h-BN) into single- or few-layered nanosheets remains a grand challenge and becomes the bottleneck to essential studies and applications of h-BN. Here, we present an efficient strategy for the scalable synthesis of few-layered h-BN nanosheets (BNNS) via a novel gas exfoliation of bulk h-BN in liquid N 2 (L-N 2). The essence of this strategy lies in the combination of a high temperature triggered expansion of bulk h-BN and the cryogenic L-N 2 gasification to exfoliate the h-BN. The produced BNNS after ten cycles (BNNS-10) consisted primarily of fewer than five atomic layersmore » with high a mass yield of 16~20%. N 2 sorption and desorption isotherms show that the BNNS-10 exhibited a much higher specific surface area of 278 m 2/g –1 than that of bulk BN (10 m 2/g –1). Through the investigation of the exfoliated intermediates combined with a theoretical calculation, we found that the huge temperature variation initiates the expansion and curling of the bulk h-BN. Subseqently, the L-N 2 penetrates into the interlayers of h-BN along the curling edge, followed by an immediate drastic gasification of L-N 2, further peeling off h-BN. In conclusion, this novel gas exfoliation of high surface area BNNS not only opens up potential opportunities for wide applications, but also can be extended to produce other layered materials with high yeilds.« less

Experimental observation of boron nitride chains.

PubMed

Cretu, Ovidiu; Komsa, Hannu-Pekka; Lehtinen, Ossi; Algara-Siller, Gerardo; Kaiser, Ute; Suenaga, Kazu; Krasheninnikov, Arkady V

2014-12-23

We report the formation and characterization of boron nitride atomic chains. The chains were made from hexagonal boron nitride sheets using the electron beam inside a transmission electron microscope. We find that the stability and lifetime of the chains are significantly improved when they are supported by another boron nitride layer. With the help of first-principles calculations, we prove the heteroatomic structure of the chains and determine their mechanical and electronic properties. Our study completes the analogy between various boron nitride and carbon polymorphs, in accordance with earlier theoretical predictions.

Epitaxial hexagonal boron nitride on Ir(111): A work function template

NASA Astrophysics Data System (ADS)

Schulz, Fabian; Drost, Robert; Hämäläinen, Sampsa K.; Demonchaux, Thomas; Seitsonen, Ari P.; Liljeroth, Peter

2014-06-01

Hexagonal boron nitride (h-BN) is a prominent member in the growing family of two-dimensional materials with potential applications ranging from being an atomically smooth support for other two-dimensional materials to templating growth of molecular layers. We have studied the structure of monolayer h-BN grown by chemical vapor deposition on Ir(111) by low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS) experiments and state-of-the-art density functional theory (DFT) calculations. The lattice mismatch between the h-BN and Ir(111) surface results in the formation of a moiré superstructure with a periodicity of ˜29 Å and a corrugation of ˜0.4 Å. By measuring the field emission resonances above the h-BN layer, we find a modulation of the work function within the moiré unit cell of ˜0.5 eV. DFT simulations for a 13-on-12 h-BN/Ir(111) unit cell confirm our experimental findings and allow us to relate the change in the work function to the subtle changes in the interaction between boron and nitrogen atoms and the underlying substrate atoms within the moiré unit cell. Hexagonal boron nitride on Ir(111) combines weak topographic corrugation with a strong work function modulation over the moiré unit cell. This makes h-BN/Ir(111) a potential substrate for electronically modulated thin film and heterosandwich structures.

Large Excitonic Reflectivity of Monolayer MoSe2 Encapsulated in Hexagonal Boron Nitride

NASA Astrophysics Data System (ADS)

Scuri, Giovanni; Zhou, You; High, Alexander A.; Wild, Dominik S.; Shu, Chi; De Greve, Kristiaan; Jauregui, Luis A.; Taniguchi, Takashi; Watanabe, Kenji; Kim, Philip; Lukin, Mikhail D.; Park, Hongkun

2018-01-01

We demonstrate that a single layer of MoSe2 encapsulated by hexagonal boron nitride can act as an electrically switchable mirror at cryogenic temperatures, reflecting up to 85% of incident light at the excitonic resonance. This high reflectance is a direct consequence of the excellent coherence properties of excitons in this atomically thin semiconductor. We show that the MoSe2 monolayer exhibits power-and wavelength-dependent nonlinearities that stem from exciton-based lattice heating in the case of continuous-wave excitation and exciton-exciton interactions when fast, pulsed laser excitation is used.

A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization.

PubMed

Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; Zhang, Jinshui; Zhang, Pengfei; Zhu, Huiyuan; Li, Changfeng; Chen, Zhigang; Li, Huaming; Dai, Sheng

2016-01-04

Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

In-plane heterostructures of graphene and hexagonal boron nitride with controlled domain sizes

NASA Astrophysics Data System (ADS)

Liu, Zheng; Ma, Lulu; Shi, Gang; Zhou, Wu; Gong, Yongji; Lei, Sidong; Yang, Xuebei; Zhang, Jiangnan; Yu, Jingjiang; Hackenberg, Ken P.; Babakhani, Aydin; Idrobo, Juan-Carlos; Vajtai, Robert; Lou, Jun; Ajayan, Pulickel M.

2013-02-01

Graphene and hexagonal boron nitride (h-BN) have similar crystal structures with a lattice constant difference of only 2%. However, graphene is a zero-bandgap semiconductor with remarkably high carrier mobility at room temperature, whereas an atomically thin layer of h-BN is a dielectric with a wide bandgap of ~5.9 eV. Accordingly, if precise two-dimensional domains of graphene and h-BN can be seamlessly stitched together, hybrid atomic layers with interesting electronic applications could be created. Here, we show that planar graphene/h-BN heterostructures can be formed by growing graphene in lithographically patterned h-BN atomic layers. Our approach can create periodic arrangements of domains with size ranging from tens of nanometres to millimetres. The resulting graphene/h-BN atomic layers can be peeled off the growth substrate and transferred to various platforms including flexible substrates. We also show that the technique can be used to fabricate two-dimensional devices, such as a split closed-loop resonator that works as a bandpass filter.

Temperature-dependent layer breathing modes in two-dimensional materials

NASA Astrophysics Data System (ADS)

Maity, Indrajit; Maiti, Prabal K.; Jain, Manish

2018-04-01

Relative out-of-plane displacements of the constituent layers of two-dimensional materials give rise to unique low-frequency breathing modes. By computing the height-height correlation functions from molecular dynamics simulations, we show that the layer breathing modes (LBMs) can be mapped consistently to vibrations of a simple linear chain model. Our calculated thickness dependence of LBM frequencies for few-layer (FL) graphene and molybdenum disulfide (MoS2) are in excellent agreement with available experiments. Our results show a redshift of LBM frequency with an increase in temperature, which is a direct consequence of anharmonicities present in the interlayer interaction. We also predict the thickness and temperature dependence of LBM frequencies for FL hexagonal boron nitride. Our Rapid Communication provides a simple and efficient way to probe the interlayer interaction for layered materials and their heterostructures with the inclusion of anharmonic effects.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han,W.Q.

Boron nitride (BN) is a synthetic binary compound located between III and V group elements in the Periodic Table. However, its properties, in terms of polymorphism and mechanical characteristics, are rather close to those of carbon compared with other III-V compounds, such as gallium nitride. BN crystallizes into a layered or a tetrahedrally linked structure, like those of graphite and diamond, respectively, depending on the conditions of its preparation, especially the pressure applied. Such correspondence between BN and carbon readily can be understood from their isoelectronic structures [1, 2]. On the other hand, in contrast to graphite, layered BN ismore » transparent and is an insulator. This material has attracted great interest because, similar to carbon, it exists in various polymorphic forms exhibiting very different properties; however, these forms do not correspond strictly to those of carbon. Crystallographically, BN is classified into four polymorphic forms: Hexagonal BN (h-BN) (Figure 1(b)); rhombohedral BN (r-BN); cubic BN (c-BN); and wurtzite BN (w-BN). BN does not occur in nature. In 1842, Balmain [3] obtained BN as a reaction product between molten boric oxide and potassium cyanide under atmospheric pressure. Thereafter, many methods for its synthesis were reported. h-BN and r-BN are formed under ambient pressure. c-BN is synthesized from h-BN under high pressure at high temperature while w-BN is prepared from h-BN under high pressure at room temperature [1]. Each BN layer consists of stacks of hexagonal plate-like units of boron and nitrogen atoms linked by SP{sup 2} hybridized orbits and held together mainly by Van der Waals force (Fig 1(b)). The hexagonal polymorph has two-layered repeating units: AA'AA'... that differ from those in graphite: ABAB... (Figure 1(a)). Within the layers of h-BN there is coincidence between the same phases of the hexagons, although the boron atoms and nitrogen atoms are alternatively located along the c-axis. The rhombohedral system consists of three-layered units: ABCABC..., whose honeycomb layers are arranged in a shifted phase, like as those of graphite. Reflecting its weak interlayer bond, the h-BN can be cleaved easily along its layers, and hence, is widely used as a lubricant material. The material is stable up to a high temperature of 2300 C before decomposition sets in [2] does not fuse a nitrogen atmosphere of 1 atm, and thus, is applicable as a refractory material. Besides having such properties, similar to those of graphite, the material is transparent, and acts as a good electric insulator, especially at high temperatures (10{sup 6} {Omega}m at 1000 C) [1]. c-BN and w-BN are tetrahedrally linked BN. The former has a cubic sphalerite-type structure, and the latter has a hexagonal wurtzite-type structure. c-BN is the second hardest known material (the hardest is diamond), the so-called white diamond. It is used mainly for grinding and cutting industrial ferrous materials because it does not react with molten iron, nickel, and related alloys at high temperatures whereas diamond does [1]. It displays the second highest thermal conductivity (6-9 W/cm.deg) after diamond. This chapter focuses principally upon information about h-BN nanomaterials, mainly BN nanotubes (BNNTs), porous BN, mono- and few-layer-BN sheets. There are good reviews book chapters about c-BN in [1, 4-6].« less

A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization

DOE PAGES

Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; ...

2015-10-16

Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here in this study, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

Direct growth of graphene on in situ epitaxial hexagonal boron nitride flakes by plasma-assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Zhongguang; Zheng, Renjing; Khanaki, Alireza

2015-11-23

Hexagonal boron nitride (h-BN) single-crystal domains were grown on cobalt (Co) substrates at a substrate temperature of 850–900 °C using plasma-assisted molecular beam epitaxy. Three-point star shape h-BN domains were observed by scanning electron microscopy, and confirmed by Raman and X-ray photoelectron spectroscopy. The h-BN on Co template was used for in situ growth of multilayer graphene, leading to an h-BN/graphene heterostructure. Carbon atoms preferentially nucleate on Co substrate and edges of h-BN and then grow laterally to form continuous graphene. Further introduction of carbon atoms results in layer-by-layer growth of graphene on graphene and lateral growth of graphene on h-BNmore » until it may cover entire h-BN flakes.« less

Boron nitride nanotubes and nanosheets.

PubMed

Golberg, Dmitri; Bando, Yoshio; Huang, Yang; Terao, Takeshi; Mitome, Masanori; Tang, Chengchun; Zhi, Chunyi

2010-06-22

Hexagonal boron nitride (h-BN) is a layered material with a graphite-like structure in which planar networks of BN hexagons are regularly stacked. As the structural analogue of a carbon nanotube (CNT), a BN nanotube (BNNT) was first predicted in 1994; since then, it has become one of the most intriguing non-carbon nanotubes. Compared with metallic or semiconducting CNTs, a BNNT is an electrical insulator with a band gap of ca. 5 eV, basically independent of tube geometry. In addition, BNNTs possess a high chemical stability, excellent mechanical properties, and high thermal conductivity. The same advantages are likely applicable to a graphene analogue-a monatomic layer of a hexagonal BN. Such unique properties make BN nanotubes and nanosheets a promising nanomaterial in a variety of potential fields such as optoelectronic nanodevices, functional composites, hydrogen accumulators, electrically insulating substrates perfectly matching the CNT, and graphene lattices. This review gives an introduction to the rich BN nanotube/nanosheet field, including the latest achievements in the synthesis, structural analyses, and property evaluations, and presents the purpose and significance of this direction in the light of the general nanotube/nanosheet developments.

Strain-Engineered Graphene Grown on Hexagonal Boron Nitride by Molecular Beam Epitaxy

PubMed Central

Summerfield, Alex; Davies, Andrew; Cheng, Tin S.; Korolkov, Vladimir V.; Cho, YongJin; Mellor, Christopher J.; Foxon, C. Thomas; Khlobystov, Andrei N.; Watanabe, Kenji; Taniguchi, Takashi; Eaves, Laurence; Novikov, Sergei V.; Beton, Peter H.

2016-01-01

Graphene grown by high temperature molecular beam epitaxy on hexagonal boron nitride (hBN) forms continuous domains with dimensions of order 20 μm, and exhibits moiré patterns with large periodicities, up to ~30 nm, indicating that the layers are highly strained. Topological defects in the moiré patterns are observed and attributed to the relaxation of graphene islands which nucleate at different sites and subsequently coalesce. In addition, cracks are formed leading to strain relaxation, highly anisotropic strain fields, and abrupt boundaries between regions with different moiré periods. These cracks can also be formed by modification of the layers with a local probe resulting in the contraction and physical displacement of graphene layers. The Raman spectra of regions with a large moiré period reveal split and shifted G and 2D peaks confirming the presence of strain. Our work demonstrates a new approach to the growth of epitaxial graphene and a means of generating and modifying strain in graphene. PMID:26928710

Isotopic effects on phonon anharmonicity in layered van der Waals crystals: Isotopically pure hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Cuscó, Ramon; Artús, Luis; Edgar, James H.; Liu, Song; Cassabois, Guillaume; Gil, Bernard

2018-04-01

Hexagonal boron nitride (h -BN) is a layered crystal that is attracting a great deal of attention as a promising material for nanophotonic applications. The strong optical anisotropy of this crystal is key to exploit polaritonic modes for manipulating light-matter interactions in 2D materials. h -BN has also great potential for solid-state neutron detection and neutron imaging devices, given the exceptionally high thermal neutron capture cross section of the boron-10 isotope. A good knowledge of phonons in layered crystals is essential for harnessing long-lived phonon-polariton modes for nanophotonic applications and may prove valuable for developing solid-state 10BN neutron detectors with improved device architectures and higher detection efficiencies. Although phonons in graphene and isoelectronic materials with a similar hexagonal layer structure have been studied, the effect of isotopic substitution on the phonons of such lamellar compounds has not been addressed yet. Here we present a Raman scattering study of the in-plane high-energy Raman active mode on isotopically enriched single-crystal h -BN. Phonon frequency and lifetime are measured in the 80-600-K temperature range for 10B-enriched, 11B-enriched, and natural composition high quality crystals. Their temperature dependence is explained in the light of perturbation theory calculations of the phonon self-energy. The effects of crystal anisotropy, isotopic disorder, and anharmonic phonon-decay channels are investigated in detail. The isotopic-induced changes in the phonon density of states are shown to enhance three-phonon anharmonic decay channels in 10B-enriched crystals, opening the possibility of isotope tuning of the anharmonic phonon decay processes.

Study of electronic and magnetic properties of h-BN on Ni surfaces: A DFT approach

NASA Astrophysics Data System (ADS)

Sahoo, M. R.; Sahu, S.; Kushwaha, A. K.; Nayak, S.

2018-04-01

Hexagonal boron nitride (h-BN) is a promising material for implementation in spintronics due to large band gap, low spin-orbit coupling, and a small lattice mismatch to graphene and close-packedsurfaces of fcc-Ni(111). Electronic and magnetic properties of single layer hexagonal Boron Nitride (h-BN) on Ni (111) surface have been studied with density functional calculation. Since lattice constants of nickel surfaces are very close to that of h-BN, nickel acts as a good substrate. We found that the interaction between 2Pz - 3dz2 orbitals leads to change in electronic band structure as well as density of states which results spin polarization in h-BN.

Control of excitons in multi-layer van der Waals heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Calman, E. V., E-mail: ecalman@gmail.com; Dorow, C. J.; Fogler, M. M.

2016-03-07

We report an experimental study of excitons in a double quantum well van der Waals heterostructure made of atomically thin layers of MoS{sub 2} and hexagonal boron nitride. The emission of neutral and charged excitons is controlled by gate voltage, temperature, and both the helicity and the power of optical excitation.

Large Reduction of Hot Spot Temperature in Graphene Electronic Devices with Heat-Spreading Hexagonal Boron Nitride.

PubMed

Choi, David; Poudel, Nirakar; Park, Saungeun; Akinwande, Deji; Cronin, Stephen B; Watanabe, Kenji; Taniguchi, Takashi; Yao, Zhen; Shi, Li

2018-04-04

Scanning thermal microscopy measurements reveal a significant thermal benefit of including a high thermal conductivity hexagonal boron nitride (h-BN) heat-spreading layer between graphene and either a SiO 2 /Si substrate or a 100 μm thick Corning flexible Willow glass (WG) substrate. At the same power density, an 80 nm thick h-BN layer on the silicon substrate can yield a factor of 2.2 reduction of the hot spot temperature, whereas a 35 nm thick h-BN layer on the WG substrate is sufficient to obtain a factor of 4.1 reduction. The larger effect of the h-BN heat spreader on WG than on SiO 2 /Si is attributed to a smaller effective heat transfer coefficient per unit area for three-dimensional heat conduction into the thick, low-thermal conductivity WG substrate than for one-dimensional heat conduction through the thin oxide layer on silicon. Consequently, the h-BN lateral heat-spreading length is much larger on WG than on SiO 2 /Si, resulting in a larger degree of temperature reduction.

Characterization of two-dimensional hexagonal boron nitride using scanning electron and scanning helium ion microscopy

NASA Astrophysics Data System (ADS)

Guo, Hongxuan; Gao, Jianhua; Ishida, Nobuyuki; Xu, Mingsheng; Fujita, Daisuke

2014-01-01

Characterization of the structural and physical properties of two-dimensional (2D) materials, such as layer number and inelastic mean free path measurements, is very important to optimize their synthesis and application. In this study, we characterize the layer number and morphology of hexagonal boron nitride (h-BN) nanosheets on a metallic substrate using field emission scanning electron microscopy (FE-SEM) and scanning helium ion microscopy (HIM). Using scanning beams of various energies, we could analyze the dependence of the intensities of secondary electrons on the thickness of the h-BN nanosheets. Based on the interaction between the scanning particles (electrons and helium ions) and h-BN nanosheets, we deduced an exponential relationship between the intensities of secondary electrons and number of layers of h-BN. With the attenuation factor of the exponential formula, we calculate the inelastic mean free path of electrons and helium ions in the h-BN nanosheets. Our results show that HIM is more sensitive and consistent than FE-SEM for characterizing the number of layers and morphology of 2D materials.

Introducing Overlapping Grain Boundaries in Chemical Vapor Deposited Hexagonal Boron Nitride Monolayer Films

PubMed Central

2017-01-01

We demonstrate the growth of overlapping grain boundaries in continuous, polycrystalline hexagonal boron nitride (h-BN) monolayer films via scalable catalytic chemical vapor deposition. Unlike the commonly reported atomically stitched grain boundaries, these overlapping grain boundaries do not consist of defect lines within the monolayer films but are composed of self-sealing bilayer regions of limited width. We characterize this overlapping h-BN grain boundary structure in detail by complementary (scanning) transmission electron microscopy techniques and propose a catalytic growth mechanism linked to the subsurface/bulk of the process catalyst and its boron and nitrogen solubilities. Our data suggest that the overlapping grain boundaries are comparatively resilient against deleterious pinhole formation associated with grain boundary defect lines and thus may reduce detrimental breakdown effects when polycrystalline h-BN monolayer films are used as ultrathin dielectrics, barrier layers, or separation membranes. PMID:28410557

Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy.

PubMed

Jobst, Johannes; van der Torren, Alexander J H; Krasovskii, Eugene E; Balgley, Jesse; Dean, Cory R; Tromp, Rudolf M; van der Molen, Sense Jan

2016-11-29

High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the 'chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of.

Excellent electrical conductivity of the exfoliated and fluorinated hexagonal boron nitride nanosheets.

PubMed

Xue, Yafang; Liu, Qian; He, Guanjie; Xu, Kaibing; Jiang, Lin; Hu, Xianghua; Hu, Junqing

2013-01-24

The insulator characteristic of hexagonal boron nitride limits its applications in microelectronics. In this paper, the fluorinated hexagonal boron nitride nanosheets were prepared by doping fluorine into the boron nitride nanosheets exfoliated from the bulk boron nitride in isopropanol via a facile chemical solution method with fluoboric acid; interestingly, these boron nitride nanosheets demonstrate a typical semiconductor characteristic which were studied on a new scanning tunneling microscope-transmission electron microscope holder. Since this property changes from an insulator to a semiconductor of the boron nitride, these nanosheets will be able to extend their applications in designing and fabricating electronic nanodevices.

Boron nitride encapsulated graphene infrared emitters

NASA Astrophysics Data System (ADS)

Barnard, H. R.; Zossimova, E.; Mahlmeister, N. H.; Lawton, L. M.; Luxmoore, I. J.; Nash, G. R.

2016-03-01

The spatial and spectral characteristics of mid-infrared thermal emission from devices containing a large area multilayer graphene layer, encapsulated using hexagonal boron nitride, have been investigated. The devices were run continuously in air for over 1000 h, with the emission spectrum covering the absorption bands of many important gases. An approximate solution to the heat equation was used to simulate the measured emission profile across the devices yielding an estimated value of the characteristic length, which defines the exponential rise/fall of the temperature profile across the device, of 40 μm. This is much larger than values obtained in smaller exfoliated graphene devices and reflects the device geometry, and the increase in lateral heat conduction within the devices due to the multilayer graphene and boron nitride layers.

Boron nitride composites

DOEpatents

Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

2017-02-21

According to one embodiment, a composite product includes: a matrix material including hexagonal boron nitride and one or more borate binders; and a plurality of cubic boron nitride particles dispersed in the matrix material. According to another embodiment, a composite product includes: a matrix material including hexagonal boron nitride and amorphous boron nitride; and a plurality of cubic boron nitride particles dispersed in the matrix material.

Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilbert, S. Matt; Dunn, Gabriel; Azizi, Amin

Here, we demonstrate the fabrication of individual nanopores in hexagonal boron nitride (h-BN) with atomically precise control of the pore shape and size. Previous methods of pore production in other 2D materials typically create pores with irregular geometry and imprecise diameters. In contrast, other studies have shown that with careful control of electron irradiation, defects in h-BN grow with pristine zig-zag edges at quantized triangular sizes, but they have failed to demonstrate production and control of isolated defects. In this work, we combine these techniques to yield a method in which we can create individual size-quantized triangular nanopores through anmore » h-BN sheet. The pores are created using the electron beam of a conventional transmission electron microscope; which can strip away multiple layers of h-BN exposing single-layer regions, introduce single vacancies, and preferentially grow vacancies only in the single-layer region. We further demonstrate how the geometry of these pores can be altered beyond triangular by changing beam conditions. Precisely size- and geometry-tuned nanopores could find application in molecular sensing, DNA sequencing, water desalination, and molecular separation.« less

Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride

DOE PAGES

Gilbert, S. Matt; Dunn, Gabriel; Azizi, Amin; ...

2017-11-08

Here, we demonstrate the fabrication of individual nanopores in hexagonal boron nitride (h-BN) with atomically precise control of the pore shape and size. Previous methods of pore production in other 2D materials typically create pores with irregular geometry and imprecise diameters. In contrast, other studies have shown that with careful control of electron irradiation, defects in h-BN grow with pristine zig-zag edges at quantized triangular sizes, but they have failed to demonstrate production and control of isolated defects. In this work, we combine these techniques to yield a method in which we can create individual size-quantized triangular nanopores through anmore » h-BN sheet. The pores are created using the electron beam of a conventional transmission electron microscope; which can strip away multiple layers of h-BN exposing single-layer regions, introduce single vacancies, and preferentially grow vacancies only in the single-layer region. We further demonstrate how the geometry of these pores can be altered beyond triangular by changing beam conditions. Precisely size- and geometry-tuned nanopores could find application in molecular sensing, DNA sequencing, water desalination, and molecular separation.« less

Synthesis of large single-crystal hexagonal boron nitride grains on Cu-Ni alloy

NASA Astrophysics Data System (ADS)

Lu, Guangyuan; Wu, Tianru; Yuan, Qinghong; Wang, Huishan; Wang, Haomin; Ding, Feng; Xie, Xiaoming; Jiang, Mianheng

2015-01-01

Hexagonal boron nitride (h-BN) has attracted significant attention because of its superior properties as well as its potential as an ideal dielectric layer for graphene-based devices. The h-BN films obtained via chemical vapour deposition in earlier reports are always polycrystalline with small grains because of high nucleation density on substrates. Here we report the successful synthesis of large single-crystal h-BN grains on rational designed Cu-Ni alloy foils. It is found that the nucleation density can be greatly reduced to 60 per mm2 by optimizing Ni ratio in substrates. The strategy enables the growth of single-crystal h-BN grains up to 7,500 μm2, approximately two orders larger than that in previous reports. This work not only provides valuable information for understanding h-BN nucleation and growth mechanisms, but also gives an effective alternative to exfoliated h-BN as a high-quality dielectric layer for large-scale nanoelectronic applications.

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus.

PubMed

Qiu, Diana Y; da Jornada, Felipe H; Louie, Steven G

2017-08-09

Few-layer black phosphorus has recently emerged as a promising 2D semiconductor, notable for its widely tunable bandgap, highly anisotropic properties, and theoretically predicted large exciton binding energies. To avoid degradation, it has become common practice to encapsulate black phosphorus devices. It is generally assumed that this encapsulation does not qualitatively affect their optical properties. Here, we show that the contrary is true. We have performed ab initio GW and GW plus Bethe-Salpeter equation (GW-BSE) calculations to determine the quasiparticle (QP) band structure and optical spectrum of one-layer (1L) through four-layer (4L) black phosphorus, with and without encapsulation between hexagonal boron nitride and sapphire. We show that black phosphorus is exceptionally sensitive to environmental screening. Encapsulation reduces the exciton binding energy in 1L by as much as 70% and completely eliminates the presence of a bound exciton in the 4L structure. The reduction in the exciton binding energies is offset by a similarly large renormalization of the QP bandgap so that the optical gap remains nearly unchanged, but the nature of the excited states and the qualitative features of the absorption spectrum change dramatically.

Additive Manufacturing of Dense Hexagonal Boron Nitride Objects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marquez Rossy, Andres E.; Armstrong, Beth L.; Elliott, Amy M.

The feasibility of manufacturing hexagonal boron nitride objects via additive manufacturing techniques was investigated. It was demonstrated that it is possible to hot-extrude thermoplastic filaments containing uniformly distributed boron nitride particles with a volume concentration as high as 60% and that these thermoplastic filaments can be used as feedstock for 3D-printing objects using a fused deposition system. Objects 3D-printed by fused deposition were subsequently sintered at high temperature to obtain dense ceramic products. In a parallel study the behavior of hexagonal boron nitride in aqueous solutions was investigated. It was shown that the addition of a cationic dispersant to anmore » azeotrope enabled the formulation of slurries with a volume concentration of boron nitride as high as 33%. Although these slurries exhibited complex rheological behavior, the results from this study are encouraging and provide a pathway for manufacturing hexagonal boron nitride objects via robocasting.« less

Boron nitride encapsulated graphene infrared emitters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barnard, H. R.; Zossimova, E.; Mahlmeister, N. H.

2016-03-28

The spatial and spectral characteristics of mid-infrared thermal emission from devices containing a large area multilayer graphene layer, encapsulated using hexagonal boron nitride, have been investigated. The devices were run continuously in air for over 1000 h, with the emission spectrum covering the absorption bands of many important gases. An approximate solution to the heat equation was used to simulate the measured emission profile across the devices yielding an estimated value of the characteristic length, which defines the exponential rise/fall of the temperature profile across the device, of 40 μm. This is much larger than values obtained in smaller exfoliated graphene devicesmore » and reflects the device geometry, and the increase in lateral heat conduction within the devices due to the multilayer graphene and boron nitride layers.« less

On the buckling of hexagonal boron nitride nanoribbons via structural mechanics

NASA Astrophysics Data System (ADS)

Giannopoulos, Georgios I.

2018-03-01

Monolayer hexagonal boron nitride nanoribbons have similar crystal structure as graphene nanoribbons, have excellent mechanical, thermal insulating and dielectric properties and additionally present chemical stability. These allotropes of boron nitride can be used in novel applications, in which graphene is not compatible, to achieve remarkable performance. The purpose of the present work is to provide theoretical estimations regarding the buckling response of hexagonal boron nitride monolayer under compressive axial loadings. For this reason, a structural mechanics method is formulated which employs the exact equilibrium atomistic structure of the specific two-dimensional nanomaterial. In order to represent the interatomic interactions appearing between boron and nitrogen atoms, the Dreiding potential model is adopted which is realized by the use of three-dimensional, two-noded, spring-like finite elements of appropriate stiffness matrices. The critical compressive loads that cause the buckling of hexagonal boron nitride nanoribbons are computed with respect to their size and chirality while some indicative buckled shapes of them are illustrated. Important conclusions arise regarding the effect of the size and chirality on the structural stability of the hexagonal boron nitride monolayers. An analytical buckling formula, which provides good fitting of the numerical outcome, is proposed.

STIR: Novel Electronic States by Gating Strongly Correlated Materials

DTIC Science & Technology

2016-03-01

plan built on my group’s recent demonstration of electrolyte gating in Strontium Titanate, using an atomically thin hexagonal Boron Nitride barrier to...demonstration of electrolyte gating in Strontium Titanate, using an atomically thin hexagonal Boron Nitride barrier to prevent disorder and chemical...techniques and learned to apply thin hexagonal Boron Nitride to single crystals of materials expected to show some of the most exciting correlated

Synthesis and Characterization of Hexagonal Boron Nitride as a Gate Dielectric

PubMed Central

Jang, Sung Kyu; Youn, Jiyoun; Song, Young Jae; Lee, Sungjoo

2016-01-01

Two different growth modes of large-area hexagonal boron nitride (h-BN) film, a conventional chemical vapor deposition (CVD) growth mode and a high-pressure CVD growth mode, were compared as a function of the precursor partial pressure. Conventional self-limited CVD growth was obtained below a critical partial pressure of the borazine precursor, whereas a thick h-BN layer (thicker than a critical thickness of 10 nm) was grown beyond a critical partial pressure. An interesting coincidence of a critical thickness of 10 nm was identified in both the CVD growth behavior and in the breakdown electric field strength and leakage current mechanism, indicating that the electrical properties of the CVD h-BN film depended significantly on the film growth mode and the resultant film quality. PMID:27458024

Random telegraph noise in 2D hexagonal boron nitride dielectric films

NASA Astrophysics Data System (ADS)

Ranjan, A.; Puglisi, F. M.; Raghavan, N.; O'Shea, S. J.; Shubhakar, K.; Pavan, P.; Padovani, A.; Larcher, L.; Pey, K. L.

2018-03-01

This study reports the observation of low frequency random telegraph noise (RTN) in a 2D layered hexagonal boron nitride dielectric film in the pre- and post-soft breakdown phases using conductive atomic force microscopy as a nanoscale spectroscopy tool. The RTN traces of the virgin and electrically stressed dielectric (after percolation breakdown) were compared, and the signal features were statistically analyzed using the Factorial Hidden Markov Model technique. We observe a combination of both two-level and multi-level RTN signals in h-BN, akin to the trends commonly observed for bulk oxides such as SiO2 and HfO2. Experimental evidence suggests frequent occurrence of unstable and anomalous RTN traces in 2D dielectrics which makes extraction of defect energetics challenging.

Synthesis of atomically thin hexagonal boron nitride films on nickel foils by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Nakhaie, S.; Wofford, J. M.; Schumann, T.; Jahn, U.; Ramsteiner, M.; Hanke, M.; Lopes, J. M. J.; Riechert, H.

2015-05-01

Hexagonal boron nitride (h-BN) is a layered two-dimensional material with properties that make it promising as a dielectric in various applications. We report the growth of h-BN films on Ni foils from elemental B and N using molecular beam epitaxy. The presence of crystalline h-BN over the entire substrate is confirmed by Raman spectroscopy. Atomic force microscopy is used to examine the morphology and continuity of the synthesized films. A scanning electron microscopy study of films obtained using shorter depositions offers insight into the nucleation and growth behavior of h-BN on the Ni substrate. The morphology of h-BN was found to evolve from dendritic, star-shaped islands to larger, smooth triangular ones with increasing growth temperature.

Investigation of hexagonal boron nitride as an atomically thin corrosion passivation coating in aqueous solution.

PubMed

Zhang, Jing; Yang, Yingchao; Lou, Jun

2016-09-09

Hexagonal boron nitride (h-BN) atomic layers were utilized as a passivation coating in this study. A large-area continuous h-BN thin film was grown on nickel foil using a chemical vapor deposition method and then transferred onto sputtered copper as a corrosion passivation coating. The corrosion passivation performance in a Na2SO4 solution of bare and coated copper was investigated by electrochemical methods including cyclic voltammetry (CV), Tafel polarization and electrochemical impedance spectroscopy (EIS). CV and Tafel analysis indicate that the h-BN coating could effectively suppress the anodic dissolution of copper. The EIS fitting result suggests that defects are the dominant leakage source on h-BN films, and improved anti-corrosion performances could be achieved by further passivating these defects.

Modification of the electronic properties of hexagonal boron-nitride in BN/graphene vertical heterostructures

DOE PAGES

Pan, Minghu; Liang, Liangbo; Lin, Wenzhi; ...

2016-09-28

Van der Waals (vdW) heterostructures consist of isolated atomic planar structures, assembled layer- by-layer into desired structures in a well-defined sequence. Graphene deposited on hexagonal boron nitride (h-BN) has been first considered as a testbed system for vdW heterostructures, and many others have been demonstrated both theoretically and experimentally, revealing many attractive properties and phenomena. However, much less emphasis has been placed on how graphene actively affects h-BN properties. Here, we perform local probe measurements on single-layer h-BN grown over graphene and highlight the manifestation of a proximity effect that significantly affects the electronic properties of h-BN due to itsmore » coupling with the underlying graphene. We find electronic states originating from the graphene layer and the Cu substrate to be injected into the wide electronic gap of the h-BN top layer. Such proximity effect is further confirmed in a study of the variation of h-BN in-gap states with interlayer couplings, elucidated using a combination of topographical/ spectroscopic measurements and first-principles density functional theory calculations. In conclusion, the findings of this work indicate the potential of mutually engineering electronic properties of the components of vdW heterostructures.« less

Impact of tensile strain on the thermal transport of zigzag hexagonal boron nitride nanoribbon: An equilibrium molecular dynamics study

NASA Astrophysics Data System (ADS)

Navid, Ishtiaque Ahmed; Intisar Khan, Asir; Subrina, Samia

2018-02-01

The thermal conductivity of single layer strained hexagonal boron nitride nanoribbon (h-BNNR) has been computed using the Green—Kubo formulation of Equilibrium Molecular Dynamics (EMD) simulation. We have investigated the impact of strain on thermal transport of h-BNNR by varying the applied tensile strain from 1% upto 5% through uniaxial loading. The thermal conductivity of h-BNNR decreases monotonically with the increase of uniaxial tensile strain keeping the sample size and temperature constant. The thermal conductivity can be reduced upto 86% for an applied uniaxial tensile strain of 5%. The impact of temperature and width variation on the thermal conductivity of h-BNNR has also been studied under different uniaxial tensile strain conditions. With the increase in temperature, the thermal conductivity of strained h-BNNR exhibits a decaying characteristics whereas it shows an opposite pattern with the increasing width. Such study would provide a good insight on the strain tunable thermal transport for the potential device application of boron nitride nanostructures.

Quantifying electronic band interactions in van der Waals materials using angle-resolved reflected-electron spectroscopy

PubMed Central

Jobst, Johannes; van der Torren, Alexander J. H.; Krasovskii, Eugene E.; Balgley, Jesse; Dean, Cory R.; Tromp, Rudolf M.; van der Molen, Sense Jan

2016-01-01

High electron mobility is one of graphene's key properties, exploited for applications and fundamental research alike. Highest mobility values are found in heterostructures of graphene and hexagonal boron nitride, which consequently are widely used. However, surprisingly little is known about the interaction between the electronic states of these layered systems. Rather pragmatically, it is assumed that these do not couple significantly. Here we study the unoccupied band structure of graphite, boron nitride and their heterostructures using angle-resolved reflected-electron spectroscopy. We demonstrate that graphene and boron nitride bands do not interact over a wide energy range, despite their very similar dispersions. The method we use can be generally applied to study interactions in van der Waals systems, that is, artificial stacks of layered materials. With this we can quantitatively understand the ‘chemistry of layers' by which novel materials are created via electronic coupling between the layers they are composed of. PMID:27897180

Intrinsic ferromagnetism in hexagonal boron nitride nanosheets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Si, M. S.; Gao, Daqiang, E-mail: gaodq@lzu.edu.cn, E-mail: xueds@lzu.edu.cn; Yang, Dezheng

2014-05-28

Understanding the mechanism of ferromagnetism in hexagonal boron nitride nanosheets, which possess only s and p electrons in comparison with normal ferromagnets based on localized d or f electrons, is a current challenge. In this work, we report an experimental finding that the ferromagnetic coupling is an intrinsic property of hexagonal boron nitride nanosheets, which has never been reported before. Moreover, we further confirm it from ab initio calculations. We show that the measured ferromagnetism should be attributed to the localized π states at edges, where the electron-electron interaction plays the role in this ferromagnetic ordering. More importantly, we demonstratemore » such edge-induced ferromagnetism causes a high Curie temperature well above room temperature. Our systematical work, including experimental measurements and theoretical confirmation, proves that such unusual room temperature ferromagnetism in hexagonal boron nitride nanosheets is edge-dependent, similar to widely reported graphene-based materials. It is believed that this work will open new perspectives for hexagonal boron nitride spintronic devices.« less

Mechanical behavior enhancement of defective graphene sheet employing boron nitride coating via atomistic study

NASA Astrophysics Data System (ADS)

Setoodeh, A. R.; Badjian, H.

2017-12-01

The most stable form of boron nitride polymorph naming hexagonal boron nitride sheet has recently been widely concerned like graphite due to its interesting features such as electrical insulation and high thermal conductivity. In this study, the molecular dynamic simulations are implemented to investigate the mechanical properties of single-layer graphene sheets under tensile and compressive loadings in the absence and presence of boron-nitride coating layers. In this introduced hybrid nanostructure, the benefit of combining both individual interesting features of graphene and boron-nitride sheets such as exceptional mechanical and electrical properties can be simultaneously achieved for future potential application in nano devices. The influences of chiral indices, boundary conditions and presence of mono-atomic vacancy defects as well as coating dimension on the mechanical behavior of the resulted hybrid structure are reported. The interatomic forces between the atoms are modeled by employing the AIREBO and Tersoff-Brenner potentials for carbon-carbon and boron-nitrogen atoms in each layer, respectively. Furthermore, the van der Waal interlayer forces of carbon-boron and carbon-nitrogen are estimated by the Lennard-Jones potential field. Besides the potential improvement in electrical and physical properties of the nanostructure, it is demonstrated that the buckling load capacity of the fully coated graphene sheet with 3% concentration of mono-atomic vacancy defects noticeably enhances by amounts of 24.1%.

Subdiffractional focusing and guiding of polaritonic rays in a natural hyperbolic material

PubMed Central

Dai, S.; Ma, Q.; Andersen, T.; Mcleod, A. S.; Fei, Z.; Liu, M. K.; Wagner, M.; Watanabe, K.; Taniguchi, T.; Thiemens, M.; Keilmann, F.; Jarillo-Herrero, P.; Fogler, M. M.; Basov, D. N.

2015-01-01

Uniaxial materials whose axial and tangential permittivities have opposite signs are referred to as indefinite or hyperbolic media. In such materials, light propagation is unusual leading to novel and often non-intuitive optical phenomena. Here we report infrared nano-imaging experiments demonstrating that crystals of hexagonal boron nitride, a natural mid-infrared hyperbolic material, can act as a ‘hyper-focusing lens' and as a multi-mode waveguide. The lensing is manifested by subdiffractional focusing of phonon–polaritons launched by metallic disks underneath the hexagonal boron nitride crystal. The waveguiding is revealed through the modal analysis of the periodic patterns observed around such launchers and near the sample edges. Our work opens new opportunities for anisotropic layered insulators in infrared nanophotonics complementing and potentially surpassing concurrent artificial hyperbolic materials with lower losses and higher optical localization. PMID:25902364

Synthesis and Thermal Conductivity of Exfoliated Hexagonal Boron Nitride/Alumina Ceramic Composite

NASA Technical Reports Server (NTRS)

Hung, Ching-cheh; Hurst, Janet; Santiago, Diana; Lizcano, Maricela; Kelly, Marisabel

2017-01-01

Exfoliated hexagonal boron nitride (hBN)/alumina composite can be fabricated by following the process of (1) heating a mixture of hBN, AlCl3, and NaF in nitrogen for intercalation; (2) heating the intercalated product in air for exfoliation and at the same time converting the intercalate (AlCl3) into Al2O3, (3) rinsing the oxidized product, (4) coating individual exfoliated hBN platelets that contain Al2O3 with new layers of aluminum oxide, and finally, (5) hot pressing the product into the composite. The composite thus obtained has a composition of approximately 60 percent by weight hBN and 40 percent by weight alumina. Its in-plane and through-plane thermal conductivity were measured to be 86 and 18 watts per meter Kelvin, respectively, at room temperature.

Metal-free spin and spin-gapless semiconducting heterobilayers: monolayer boron carbonitrides on hexagonal boron nitride.

PubMed

Pan, Hongzhe; Zhang, Hongyu; Sun, Yuanyuan; Ding, Yingchun; Chen, Jie; Du, Youwei; Tang, Nujiang

2017-06-07

The interfaces between monolayer boron carbonitrides and hexagonal boron nitride (h-BN) play an important role in their practical applications. Herein, we respectively investigate the structural and electronic properties of two metal-free heterobilayers constructed by vertically stacking two-dimensional (2D) spintronic materials (B 4 CN 3 and B 3 CN 4 ) on a h-BN monolayer from the viewpoints of lattice match and lattice mismatch models using density functional calculations. It is found that both B 4 CN 3 and B 3 CN 4 monolayers can be stably adsorbed on the h-BN monolayer due to the van der Waals interactions. Intriguingly, we demonstrate that the bipolar magnetic semiconductor (BMS) behavior of the B 4 CN 3 layer and the spin gapless semiconductor (SGS) property of the B 3 CN 4 layer can be well preserved in the B 4 CN 3 /BN and B 3 CN 4 /BN heterobilayers, respectively. The magnetic moments and spintronic properties of the two systems originate mainly from the 2p z electrons of the carbon atoms in the B 4 CN 3 and B 3 CN 4 layers. Furthermore, the BMS behavior of the B 4 CN 3 /BN bilayer is very robust while the electronic property of the B 3 CN 4 /BN bilayer is sensitive to interlayer couplings. These theoretical results are helpful both in understanding the interlayer coupling between B 4 CN 3 or B 3 CN 4 and h-BN monolayers and in providing a possibility of fabricating 2D composite B 4 CN 3 /BN and B 3 CN 4 /BN metal-free spintronic materials theoretically.

Negative Differential Resistance in Boron Nitride Graphene Heterostructures: Physical Mechanisms and Size Scaling Analysis

PubMed Central

Zhao, Y.; Wan, Z.; Xu, X.; Patil, S. R.; Hetmaniuk, U.; Anantram, M. P.

2015-01-01

Hexagonal boron nitride (hBN) is drawing increasing attention as an insulator and substrate material to develop next generation graphene-based electronic devices. In this paper, we investigate the quantum transport in heterostructures consisting of a few atomic layers thick hBN film sandwiched between graphene nanoribbon electrodes. We show a gate-controllable vertical transistor exhibiting strong negative differential resistance (NDR) effect with multiple resonant peaks, which stay pronounced for various device dimensions. We find two distinct mechanisms that are responsible for NDR, depending on the gate and applied biases, in the same device. The origin of first mechanism is a Fabry-Pérot like interference and that of the second mechanism is an in-plane wave vector matching when the Dirac points of the electrodes align. The hBN layers can induce an asymmetry in the current-voltage characteristics which can be further modulated by an applied bias. We find that the electron-phonon scattering suppresses the first mechanism whereas the second mechanism remains relatively unaffected. We also show that the NDR features are tunable by varying device dimensions. The NDR feature with multiple resonant peaks, combined with ultrafast tunneling speed provides prospect for the graphene-hBN-graphene heterostructure in the high-performance electronics. PMID:25991076

Single-layer graphdiyne-covered Pt(111) surface: improved catalysis confined under two-dimensional overlayer

NASA Astrophysics Data System (ADS)

Chen, Xi; Lin, Zheng-Zhe

2018-05-01

In recent years, two-dimensional confined catalysis, i.e., the enhanced catalytic reactions in confined space between metal surface and two-dimensional overlayer, makes a hit and opens up a new way to enhance the performance of catalysts. In this work, graphdiyne overlayer was proposed as a more excellent material than graphene or hexagonal boron nitride for two-dimensional confined catalysis on Pt(111) surface. Density functional theory calculations revealed the superiority of graphdiyne overlayer originates from the steric hindrance effect which increases the catalytic ability and lowers the reaction barriers. Moreover, with the big triangle holes as natural gas tunnels, graphdiyne possesses higher efficiency for the transit of gaseous reactants and products than graphene or hexagonal boron nitride. The results in this work would benefit future development of two-dimensional confined catalysis. [Figure not available: see fulltext.

Moiré-Modulated Conductance of Hexagonal Boron Nitride Tunnel Barriers.

PubMed

Summerfield, Alex; Kozikov, Aleksey; Cheng, Tin S; Davies, Andrew; Cho, Yong-Jin; Khlobystov, Andrei N; Mellor, Christopher J; Foxon, C Thomas; Watanabe, Kenji; Taniguchi, Takashi; Eaves, Laurence; Novoselov, Kostya S; Novikov, Sergei V; Beton, Peter H

2018-06-27

Monolayer hexagonal boron nitride (hBN) tunnel barriers investigated using conductive atomic force microscopy reveal moiré patterns in the spatial maps of their tunnel conductance consistent with the formation of a moiré superlattice between the hBN and an underlying highly ordered pyrolytic graphite (HOPG) substrate. This variation is attributed to a periodc modulation of the local density of states and occurs for both exfoliated hBN barriers and epitaxially grown layers. The epitaxial barriers also exhibit enhanced conductance at localized subnanometer regions which are attributed to exposure of the substrate to a nitrogen plasma source during the high temperature growth process. Our results show clearly a spatial periodicity of tunnel current due to the formation of a moiré superlattice and we argue that this can provide a mechanism for elastic scattering of charge carriers for similar interfaces embedded in graphene/hBN resonant tunnel diodes.

Decoupled electron and phonon transports in hexagonal boron nitride-silicene bilayer heterostructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cai, Yongqing; Pei, Qing-Xiang, E-mail: peiqx@ihpc.a-star.edu.sg, E-mail: zhangg@ihpc.a-star.edu.sg; Zhang, Gang, E-mail: peiqx@ihpc.a-star.edu.sg, E-mail: zhangg@ihpc.a-star.edu.sg

2016-02-14

Calculations based on the density functional theory and empirical molecular dynamics are performed to investigate interlayer interaction, electronic structure and thermal transport of a bilayer heterostructure consisting of silicene and hexagonal boron nitride (h-BN). In this heterostructure, the two layers are found to interact weakly via a non-covalent binding. As a result, the Dirac cone of silicene is preserved with the Dirac cone point being located exactly at the Fermi level, and only a small amount of electrons are transferred from h-BN to silicene, suggesting that silicene dominates the electronic transport. Molecular dynamics calculation results demonstrate that the heat currentmore » along h-BN is six times of that along silicene, suggesting that h-BN dominates the thermal transport. This decoupled role of h-BN and silicene in thermal and electronic transport suggests that the BN-silicene bilayer heterostructure is promising for thermoelectric applications.« less

Growth and device processing of hexagonal boron nitride epilayers for thermal neutron and deep ultraviolet detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doan, T. C.; Li, J.; Lin, J. Y.

2016-07-15

Solid-state neutron detectors with high performance are highly sought after for the detection of fissile materials. However, direct-conversion neutron detectors based on semiconductors with a measureable efficiency have not been realized. We report here the first successful demonstration of a direct-conversion semiconductor neutron detector with an overall detection efficiency for thermal neutrons of 4% and a charge collection efficiency as high as 83%. The detector is based on a 2.7 μm thick {sup 10}B-enriched hexagonal boron nitride (h-BN) epitaxial layer. The results represent a significant step towards the realization of practical neutron detectors based on h-BN epilayers. Neutron detectors basedmore » on h-BN are expected to possess all the advantages of semiconductor devices including wafer-scale processing, compact size, light weight, and ability to integrate with other functional devices.« less

Critical coupling using the hexagonal boron nitride crystals in the mid-infrared range

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Jipeng; Wang, Hengliang; Wen, Shuangchun

2016-05-28

We theoretically demonstrate the perfect absorption phenomena in the hexagonal boron nitride (hBN) crystals in the mid-infrared wavelength ranges by means of critical coupling with a one-dimensional photonic crystal spaced by the air. Different from the polymer absorbing layer composed by a metal-dielectric composite film, the hyperbolic dispersion characteristics of hBN can meet the condition of critical coupling and achieve the total absorption in the mid-infrared wavelength ranges. However, the critical coupling phenomenon can only appear in the hBN crystals with the type II dispersion. Moreover, we discuss the influence of the thickness of hBN, the incident angle, and themore » thickness and permittivity of the space dielectric on the total absorption. Ultimately, the conditions for absorption enhancement and the optimization methods of perfect absorption are proposed, and the design rules for a totally absorbing system under the different conditions are achieved.« less

High-purity production of ultrathin boron nitride nanosheets via shock chilling and their enhanced mechanical performance and transparency in nanocomposite hydrogels.

PubMed

Sun, Zemin; Lin, Liu; Yuan, Mengwei; Li, Huifeng; Sun, Genban; Ma, Shulan; Yang, Xiaojing

2018-05-25

A simple, highly efficient, and eco-friendly method is prepared to divide bulk boron nitride (BN) into boron nitride nanosheets (BNNSs). Due to the anisotropy of the hexagonal BN expansion coefficient, bulk BN is exfoliated utilizing the rapid and tremendous change in temperature, the extreme gasification of water, and ice thermal expansion pressure under freeze drying. The thickness of most of the BNNSs was less than ∼3 nm with a yield of 12-16 wt%. The as-obtained BNNS/polyacrylamide (PAAm) composite hydrogels exhibited outstanding mechanical properties. The tensile strength is fives times the bulk of the BN/PAAm composite hydrogels and the elongations are more than nine-fold the bulk of the BN/PAAm composite hydrogels. The BNNS/PAAm nanocomposite hydrogels also exhibited excellent elastic recovery, and the hysteresis of the BNNS nanocomposite hydrogels was negligible even after 30 cycles with a maximum tensile strain (ε max ) of 700%. This work provides new insight into the fabrication of BN/polymer nanocomposites utilizing the excellent mechanical properties and transparency of BN. The results confirm that a few layers of BNNSs can also efficiently and directly improve the mechanical properties of composite polymer due to its stronger surface free energy and better wettability.

High-purity production of ultrathin boron nitride nanosheets via shock chilling and their enhanced mechanical performance and transparency in nanocomposite hydrogels

NASA Astrophysics Data System (ADS)

Sun, Zemin; Lin, Liu; Yuan, Mengwei; Li, Huifeng; Sun, Genban; Ma, Shulan; Yang, Xiaojing

2018-05-01

A simple, highly efficient, and eco-friendly method is prepared to divide bulk boron nitride (BN) into boron nitride nanosheets (BNNSs). Due to the anisotropy of the hexagonal BN expansion coefficient, bulk BN is exfoliated utilizing the rapid and tremendous change in temperature, the extreme gasification of water, and ice thermal expansion pressure under freeze drying. The thickness of most of the BNNSs was less than ∼3 nm with a yield of 12–16 wt%. The as-obtained BNNS/polyacrylamide (PAAm) composite hydrogels exhibited outstanding mechanical properties. The tensile strength is fives times the bulk of the BN/PAAm composite hydrogels and the elongations are more than nine-fold the bulk of the BN/PAAm composite hydrogels. The BNNS/PAAm nanocomposite hydrogels also exhibited excellent elastic recovery, and the hysteresis of the BNNS nanocomposite hydrogels was negligible even after 30 cycles with a maximum tensile strain (ε max) of 700%. This work provides new insight into the fabrication of BN/polymer nanocomposites utilizing the excellent mechanical properties and transparency of BN. The results confirm that a few layers of BNNSs can also efficiently and directly improve the mechanical properties of composite polymer due to its stronger surface free energy and better wettability.

Direct growth of hexagonal boron nitride/graphene heterostructures on cobalt foil substrates by plasma-assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Zhongguang; Khanaki, Alireza; Tian, Hao

2016-07-25

Graphene/hexagonal boron nitride (G/h-BN) heterostructures have attracted a great deal of attention because of their exceptional properties and wide variety of potential applications in nanoelectronics. However, direct growth of large-area, high-quality, and stacked structures in a controllable and scalable way remains challenging. In this work, we demonstrate the synthesis of h-BN/graphene (h-BN/G) heterostructures on cobalt (Co) foil by sequential deposition of graphene and h-BN layers using plasma-assisted molecular beam epitaxy. It is found that the coverage of h-BN layers can be readily controlled on the epitaxial graphene by growth time. Large-area, uniform-quality, and multi-layer h-BN films on thin graphite layersmore » were achieved. Based on an h-BN (5–6 nm)/G (26–27 nm) heterostructure, capacitor devices with Co(foil)/G/h-BN/Co(contact) configuration were fabricated to evaluate the dielectric properties of h-BN. The measured breakdown electric field showed a high value of ∼2.5–3.2 MV/cm. Both I-V and C-V characteristics indicate that the epitaxial h-BN film has good insulating characteristics.« less

Growth of boron-doped few-layer graphene by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Soares, G. V.; Nakhaie, S.; Heilmann, M.; Riechert, H.; Lopes, J. M. J.

2018-04-01

We investigated the growth of boron-doped few-layer graphene on α-Al2O3 (0001) substrates by molecular beam epitaxy using two different growth approaches: one where boron was provided during the entire graphene synthesis and the second where boron was provided only during the second half of the graphene growth run. Electrical measurements show a higher p-type carrier concentration for samples fabricated utilizing the second approach, with a remarkable modulation in the carrier concentration of almost two orders of magnitude in comparison to the pristine graphene film. The results concerning the influence of the boron flux at different growth stages of graphene on the electrical and physicochemical properties of the films are presented.

Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Hamdani, Yasmine S.; Ma, Ming; Michaelides, Angelos, E-mail: angelos.michaelides@ucl.ac.uk

2015-05-14

Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of −84 ± 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT.

Theoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to π -Bond Polarization

NASA Astrophysics Data System (ADS)

Pak, Alexander J.; Hwang, Gyeong S.

2016-09-01

One important attribute of graphene that makes it attractive for high-performance electronics is its inherently large thermal conductivity (κ ) for the purposes of thermal management. Using a combined density-functional theory and classical molecular-dynamics approach, we predict that the κ of graphene supported on hexagonal boron nitride (h -BN) can be as large as 90% of the κ of suspended graphene, in contrast to the significant suppression of κ (more than 70% reduction) on amorphous silica. Interestingly, we find that this enhanced thermal transport is largely attributed to increased lifetimes of the in-plane acoustic phonon modes, which is a notable contrast from the dominant contribution of out-of-plane acoustic modes in suspended graphene. This behavior is possible due to the charge polarization throughout graphene that induces strong interlayer adhesion between graphene and h -BN. These findings highlight the potential benefit of layered dielectric substrates such as h -BN for graphene-based thermal management, in addition to their electronic advantages. Furthermore, our study brings attention to the importance of understanding the interlayer interactions of graphene with layered dielectric materials which may offer an alternative technological platform for substrates in electronics.

Few-layer and symmetry-breaking effects on the electrical properties of ordered CF3Cl phases on graphene

NASA Astrophysics Data System (ADS)

Morales-Cifuentes, Josue; Wang, Yilin; Reutt-Robey, Janice; Einstein, T. L.

2014-03-01

An effective pseudopotential mechanism for breaking the inherent sub-lattice symmetry of graphene has been studied using DFT calculations on hexagonal boron nitride. Electrical detection of CF3Cl phase transitions on graphene shows the existence of a commensurate ordered phase in which this can be tested. We study the electronic properties of this phase using VASP ver 5.3.3, with ab initio van der Waals density functionals (vdW-DF1 and vdW-DF2). Consistent with a physisorbed phase, binding energies and charge transfer per CF3Cl molecule are calculated to be on the order of 280meV and 0.01e, respectively. By exploring different coverages and orientations of this ordered phase we are able to open a band gap in some configurations; said gap is in the range of 8 to 80meV depending on the strength of the effective pseudopotential. Furthermore, we calculate the screening of these effects in bi-layer and tri-layer graphene. Work supported by NSF-MRSEC at UMD, grant DMR 05-20471 and NSF-CHE 13-05892.

Influence of point defects on the near edge structure of hexagonal boron nitride

NASA Astrophysics Data System (ADS)

McDougall, Nicholas L.; Partridge, Jim G.; Nicholls, Rebecca J.; Russo, Salvy P.; McCulloch, Dougal G.

2017-10-01

Hexagonal boron nitride (hBN) is a wide-band-gap semiconductor with applications including gate insulation layers in graphene transistors, far-ultraviolet light emitting devices and as hydrogen storage media. Due to its complex microstructure, defects in hBN are challenging to identify. Here, we combine x-ray absorption near edge structure (XANES) spectroscopy with ab initio theoretical modeling to identify energetically favorable defects. Following annealing of hBN samples in vacuum and oxygen, the B and N K edges exhibited angular-dependent peak modifications consistent with in-plane defects. Theoretical calculations showed that the energetically favorable defects all produce signature features in XANES. Comparing these calculations with experiments, the principle defects were attributed to substitutional oxygen at the nitrogen site, substitutional carbon at the boron site, and hydrogen passivated boron vacancies. Hydrogen passivation of defects was found to significantly affect the formation energies, electronic states, and XANES. In the B K edge, multiple peaks above the major 1 s to π* peak occur as a result of these defects and the hydrogen passivated boron vacancy produces the frequently observed doublet in the 1 s to σ* transition. While the N K edge is less sensitive to defects, features attributable to substitutional C at the B site were observed. This defect was also calculated to have mid-gap states in its band structure that may be responsible for the 4.1-eV ultraviolet emission frequently observed from this material.

Ni foam assisted synthesis of high quality hexagonal boron nitride with large domain size and controllable thickness

NASA Astrophysics Data System (ADS)

Ying, Hao; Li, Xiuting; Li, Deshuai; Huang, Mingqiang; Wan, Wen; Yao, Qian; Chen, Xiangping; Wang, Zhiwei; Wu, Yanqing; Wang, Le; Chen, Shanshan

2018-04-01

The scalable synthesis of two-dimensional (2D) hexagonal boron nitride (h-BN) is of great interest for its numerous applications in novel electronic devices. Highly-crystalline h-BN films, with single-crystal sizes up to hundreds of microns, are demonstrated via a novel Ni foam assisted technique reported here for the first time. The nucleation density of h-BN domains can be significantly reduced due to the high boron solubility, as well as the large specific surface area of the Ni foam. The crystalline structure of the h-BN domains is found to be well aligned with, and therefore strongly dependent upon, the underlying Pt lattice orientation. Growth-time dependent experiments confirm the presence of a surface mediated self-limiting growth mechanism for monolayer h-BN on the Pt substrate. However, utilizing remote catalysis from the Ni foam, bilayer h-BN films can be synthesized breaking the self-limiting effect. This work provides further understanding of the mechanisms involved in the growth of h-BN and proposes a facile synthesis technique that may be applied to further applications in which control over the crystal alignment, and the numbers of layers is crucial.

Silanization of boron nitride nanosheets (BNNSs) through microfluidization and their use for producing thermally conductive and electrically insulating polymer nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seyhan, A.Tuğrul, E-mail: atseyhan@anadolu.edu.tr; Composite Materials Manufacturing Science Laboratory; Göncü, Yapıncak

Chemical exfoliation of boron nitride nanosheets (BNNSs) from large flakes of specially synthesized micro-sized hexagonal boron nitride (h-BN) ceramics was carried out through microfluidization. The surface of BNNSs obtained was then functionalized with vinyl-trimethoxy silane (VTS) coupling agent through microfluidization once again in an effort to make them compatible with organic materials, especially those including polymers. The morphology of BNNSs with and without silane treatment was then systematically characterized by conducting various different analytical techniques, including Thermogravimetric analysis (TGA), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Bright field Transmission Electron Microscopy (BF-TEM), Contact angle analyzer (CAA), Particle size analyzer (PSA)more » and Fourier Transmission Infrared (FTIR) spectroscopy attached with attenuated total reflectance (ATR) module. As a result, the silane treatment was determined to be properly and successfully carried out and to give rise to the irregularity of large flakes of the BNNSs by folding back their free edges upon themselves, which in turn assists in inducing further exfoliation of the few-layered nanosheets. To gain more insight into the effectiveness of the surface functionalization, thermal conductivity of polypropylene (PP) nanocomposites containing different amounts (1 wt% and 5 wt%) of BNNSs with and without silane treatment was experimentally investigated. Regardless of the weight content, PP nanocomposites containing silanized BNNSs were found to exhibit high thermal conductivity compared to PP nanocomposites containing BNNSs without silane treatment. It was concluded that microfluidization possesses the robustness to provide a reliable product quality, whether in small or large quantities, in a very time effective manner, when it comes to first exfoliating two-dimensional inorganic materials into few layered sheets, and functionalizing the surface of these sheets afterwards to make it possible to utilize them as promising filler constituent in manufacturing thermally conductive and electrically insulating polymer nanocomposites that could be considered as whole or a part of a heat-releasing device.« less

Silanization of boron nitride nanosheets (BNNSs) through microfluidization and their use for producing thermally conductive and electrically insulating polymer nanocomposites

NASA Astrophysics Data System (ADS)

Seyhan, A. Tuğrul; Göncü, Yapıncak; Durukan, Oya; Akay, Atakan; Ay, Nuran

2017-05-01

Chemical exfoliation of boron nitride nanosheets (BNNSs) from large flakes of specially synthesized micro-sized hexagonal boron nitride (h-BN) ceramics was carried out through microfluidization. The surface of BNNSs obtained was then functionalized with vinyl-trimethoxy silane (VTS) coupling agent through microfluidization once again in an effort to make them compatible with organic materials, especially those including polymers. The morphology of BNNSs with and without silane treatment was then systematically characterized by conducting various different analytical techniques, including Thermogravimetric analysis (TGA), X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Bright field Transmission Electron Microscopy (BF-TEM), Contact angle analyzer (CAA), Particle size analyzer (PSA) and Fourier Transmission Infrared (FTIR) spectroscopy attached with attenuated total reflectance (ATR) module. As a result, the silane treatment was determined to be properly and successfully carried out and to give rise to the irregularity of large flakes of the BNNSs by folding back their free edges upon themselves, which in turn assists in inducing further exfoliation of the few-layered nanosheets. To gain more insight into the effectiveness of the surface functionalization, thermal conductivity of polypropylene (PP) nanocomposites containing different amounts (1 wt% and 5 wt%) of BNNSs with and without silane treatment was experimentally investigated. Regardless of the weight content, PP nanocomposites containing silanized BNNSs were found to exhibit high thermal conductivity compared to PP nanocomposites containing BNNSs without silane treatment. It was concluded that microfluidization possesses the robustness to provide a reliable product quality, whether in small or large quantities, in a very time effective manner, when it comes to first exfoliating two-dimensional inorganic materials into few layered sheets, and functionalizing the surface of these sheets afterwards to make it possible to utilize them as promising filler constituent in manufacturing thermally conductive and electrically insulating polymer nanocomposites that could be considered as whole or a part of a heat-releasing device.

Thermal conductivity of ultra-thin chemical vapor deposited hexagonal boron nitride films

NASA Astrophysics Data System (ADS)

Alam, M. T.; Bresnehan, M. S.; Robinson, J. A.; Haque, M. A.

2014-01-01

Thermal conductivity of freestanding 10 nm and 20 nm thick chemical vapor deposited hexagonal boron nitride films was measured using both steady state and transient techniques. The measured value for both thicknesses, about 100 ± 10 W m-1 K-1, is lower than the bulk basal plane value (390 W m-1 K-1) due to the imperfections in the specimen microstructure. Impressively, this value is still 100 times higher than conventional dielectrics. Considering scalability and ease of integration, hexagonal boron nitride grown over large area is an excellent candidate for thermal management in two dimensional materials-based nanoelectronics.

Metal-doped graphene layers composed with boron nitride-graphene as an insulator: a nano-capacitor.

PubMed

Monajjemi, Majid

2014-11-01

A model of a nanoscale dielectric capacitor composed of a few dopants has been investigated in this study. This capacitor includes metallic graphene layers which are separated by an insulating medium containing a few h-BN layers. It has been observed that the elements from group IIIA of the periodic table are more suitable as dopants for hetero-structures of the {metallic graphene/hBN/metallic graphene} capacitors compared to those from groups IA or IIA. In this study, we have specifically focused on the dielectric properties of different graphene/h-BN/graphene including their hetero-structure counterparts, i.e., Boron-graphene/h-BN/Boron-graphene, Al-graphene/h-BN/Al-graphene, Mg-graphene/h-BN/Mg-graphene, and Be-graphene/h-BN/Be-graphene stacks for monolayer form of dielectrics. Moreover, we studied the multi dielectric properties of different (h-BN)n/graphene hetero-structures of Boron-graphene/(h-BN)n/Boron-graphene.

Chemisorption of Hydroxide on 2D Materials From DFT Calculations: Graphene Versus Hexagonal Boron Nitride

PubMed Central

Grosjean, Benoit; Pean, Clarisse; Siria, Alessandro; Bocquet, Lyderic; Vuilleumier, Rodolphe; Bocquet, Marie-Laure

2017-01-01

Recent nanofluidic measurements revealed strongly different surface charge measurements for boron-nitride and graphitic nanotubes when in contact with saline and alkaline water. 1,2 These observations contrast with the similar reactivity of a graphene layer and its boron nitride counterpart, using Density Functional Theory (DFT) framework, for intact and dissociative adsorption of gaseous water molecules. Here, we investigate, by DFT in implicit water, single and multiple adsorption of anionic hydroxide on single layers. A differential adsorption strength is found in vacuum for the first ionic adsorption on the two materials – chemisorbed on BN while physisorbed on graphene. The effect of implicit solvation reduces all adsorption values resulting in a favorable (non-favorable) adsorption on BN (graphene). We also calculate a pKa ≃ 6 for BN in water, in good agreement with experiments. Comparatively, the unfavorable results for graphene in water echoes the weaker surface charge measurements, but points to an alternative scenario. PMID:27809540

Charge transport through one-dimensional Moiré crystals

PubMed Central

Bonnet, Roméo; Lherbier, Aurélien; Barraud, Clément; Rocca, Maria Luisa Della; Lafarge, Philippe; Charlier, Jean-Christophe

2016-01-01

Moiré superlattices were generated in two-dimensional (2D) van der Waals heterostructures and have revealed intriguing electronic structures. The appearance of mini-Dirac cones within the conduction and valence bands of graphene is one of the most striking among the new quantum features. A Moiré superstructure emerges when at least two periodic sub-structures superimpose. 2D Moiré patterns have been particularly investigated in stacked hexagonal 2D atomic lattices like twisted graphene layers and graphene deposited on hexagonal boron-nitride. In this letter, we report both experimentally and theoretically evidence of superlattices physics in transport properties of one-dimensional (1D) Moiré crystals. Rolling-up few layers of graphene to form a multiwall carbon nanotube adds boundaries conditions that can be translated into interference fringes-like Moiré patterns along the circumference of the cylinder. Such a 1D Moiré crystal exhibits a complex 1D multiple bands structure with clear and robust interband quantum transitions due to the presence of mini-Dirac points and pseudo-gaps. Our devices consist in a very large diameter (>80 nm) multiwall carbon nanotubes of high quality, electrically connected by metallic electrodes acting as charge reservoirs. Conductance measurements reveal the presence of van Hove singularities assigned to 1D Moiré superlattice effect and illustrated by electronic structure calculations. PMID:26786067

Discovery of Superconductivity in Hard Hexagonal ε-NbN.

PubMed

Zou, Yongtao; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; Welch, David; Zhu, Pinwen; Liu, Bingbing; Li, Qiang; Cui, Tian; Li, Baosheng

2016-02-29

Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ∼11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ∼20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (∼227 GPa). This exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments.

Discovery of superconductivity in hard hexagonal ε-NbN

DOE PAGES

Zou, Yongtao; Li, Qiang; Qi, Xintong; ...

2016-02-29

Since the discovery of superconductivity in boron-doped diamond with a critical temperature (T C) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ~11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower T C have been addressed by themore » weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ~20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (~227 GPa). Furthermore, this exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments.« less

Discovery of Superconductivity in Hard Hexagonal ε-NbN

PubMed Central

Zou, Yongtao; Qi, Xintong; Zhang, Cheng; Ma, Shuailing; Zhang, Wei; Li, Ying; Chen, Ting; Wang, Xuebing; Chen, Zhiqiang; Welch, David; Zhu, Pinwen; Liu, Bingbing; Li, Qiang; Cui, Tian; Li, Baosheng

2016-01-01

Since the discovery of superconductivity in boron-doped diamond with a critical temperature (TC) near 4 K, great interest has been attracted in hard superconductors such as transition-metal nitrides and carbides. Here we report the new discovery of superconductivity in polycrystalline hexagonal ε-NbN synthesized at high pressure and high temperature. Direct magnetization and electrical resistivity measurements demonstrate that the superconductivity in bulk polycrystalline hexagonal ε-NbN is below ∼11.6 K, which is significantly higher than that for boron-doped diamond. The nature of superconductivity in hexagonal ε-NbN and the physical mechanism for the relatively lower TC have been addressed by the weaker bonding in the Nb-N network, the co-planarity of Nb-N layer as well as its relatively weaker electron-phonon coupling, as compared with the cubic δ-NbN counterpart. Moreover, the newly discovered ε-NbN superconductor remains stable at pressures up to ∼20 GPa and is significantly harder than cubic δ-NbN; it is as hard as sapphire, ultra-incompressible and has a high shear rigidity of 201 GPa to rival hard/superhard material γ-B (∼227 GPa). This exploration opens a new class of highly desirable materials combining the outstanding mechanical/elastic properties with superconductivity, which may be particularly attractive for its technological and engineering applications in extreme environments. PMID:26923318

Optical trapping and optical force positioning of two-dimensional materials.

PubMed

Donato, M G; Messina, E; Foti, A; Smart, T J; Jones, P H; Iatì, M A; Saija, R; Gucciardi, P G; Maragò, O M

2018-01-18

In recent years, considerable effort has been devoted to the synthesis and characterization of two-dimensional materials. Liquid phase exfoliation (LPE) represents a simple, large-scale method to exfoliate layered materials down to mono- and few-layer flakes. In this context, the contactless trapping, characterization, and manipulation of individual nanosheets hold perspectives for increased accuracy in flake metrology and the assembly of novel functional materials. Here, we use optical forces for high-resolution structural characterization and precise mechanical positioning of nanosheets of hexagonal boron nitride, molybdenum disulfide, and tungsten disulfide obtained by LPE. Weakly optically absorbing nanosheets of boron nitride are trapped in optical tweezers. The analysis of the thermal fluctuations allows a direct measurement of optical forces and the mean flake size in a liquid environment. Measured optical trapping constants are compared with T-matrix light scattering calculations to show a quadratic size scaling for small size, as expected for a bidimensional system. In contrast, strongly absorbing nanosheets of molybdenum disulfide and tungsten disulfide are not stably trapped due to the dominance of radiation pressure over the optical trapping force. Thus, optical forces are used to pattern a substrate by selectively depositing nanosheets in short times (minutes) and without any preparation of the surface. This study will be useful for improving ink-jet printing and for a better engineering of optoelectronic devices based on two-dimensional materials.

Enhanced Tunnel Spin Injection into Graphene using Chemical Vapor Deposited Hexagonal Boron Nitride

PubMed Central

Kamalakar, M. Venkata; Dankert, André; Bergsten, Johan; Ive, Tommy; Dash, Saroj P.

2014-01-01

The van der Waals heterostructures of two-dimensional (2D) atomic crystals constitute a new paradigm in nanoscience. Hybrid devices of graphene with insulating 2D hexagonal boron nitride (h-BN) have emerged as promising nanoelectronic architectures through demonstrations of ultrahigh electron mobilities and charge-based tunnel transistors. Here, we expand the functional horizon of such 2D materials demonstrating the quantum tunneling of spin polarized electrons through atomic planes of CVD grown h-BN. We report excellent tunneling behavior of h-BN layers together with tunnel spin injection and transport in graphene using ferromagnet/h-BN contacts. Employing h-BN tunnel contacts, we observe enhancements in both spin signal amplitude and lifetime by an order of magnitude. We demonstrate spin transport and precession over micrometer-scale distances with spin lifetime up to 0.46 nanosecond. Our results and complementary magnetoresistance calculations illustrate that CVD h-BN tunnel barrier provides a reliable, reproducible and alternative approach to address the conductivity mismatch problem for spin injection into graphene. PMID:25156685

Observation of phonon-polaritons in thin flakes of hexagonal boron nitride on gold

NASA Astrophysics Data System (ADS)

Ciano, C.; Giliberti, V.; Ortolani, M.; Baldassarre, L.

2018-04-01

Hexagonal Boron Nitride (hBN) is a layered van der Waals material able to sustain hyperbolic phonon-polaritons within its mid-infrared reststrahlen bands. We study the effect of a metallic substrate adjacent to hBN flakes on the polariton dispersion and on the standing wave patterns in nanostructures by means of mid-infrared nanospectroscopy and nanoimaging. We exploit the gold-coated tip apex for atomic force microscopy to launch polaritons in thin hBN flakes. The photo-thermal induced mechanical resonance is used to detect the amplitude profile of polariton standing waves with a lateral resolution of 30 nm. We observe the polariton excitation spectra on hBN flakes as thin as 4 nm, thanks to the infrared field enhancement in the nanogap between the gold-coated tip apex and an ultraflat gold substrate. The data indicate no major effect of remote screening of the free electrons in gold on the phonon-polariton excitation that appears robust also against geometrical imperfections.

Suppressing bacterial interaction with copper surfaces through graphene and hexagonal-boron nitride coatings.

PubMed

Parra, Carolina; Montero-Silva, Francisco; Henríquez, Ricardo; Flores, Marcos; Garín, Carolina; Ramírez, Cristian; Moreno, Macarena; Correa, Jonathan; Seeger, Michael; Häberle, Patricio

2015-04-01

Understanding biological interaction with graphene and hexagonal-boron nitride (h-BN) membranes has become essential for the incorporation of these unique materials in contact with living organisms. Previous reports show contradictions regarding the bacterial interaction with graphene sheets on metals. Here, we present a comprehensive study of the interaction of bacteria with copper substrates coated with single-layer graphene and h-BN. Our results demonstrate that such graphitic coatings substantially suppress interaction between bacteria and underlying Cu substrates, acting as an effective barrier to prevent physical contact. Bacteria do not "feel" the strong antibacterial effect of Cu, and the substrate does not suffer biocorrosion due to bacteria contact. Effectiveness of these systems as barriers can be understood in terms of graphene and h-BN impermeability to transfer Cu(2+) ions, even when graphene and h-BN domain boundary defects are present. Our results seem to indicate that as-grown graphene and h-BN films could successfully protect metals, preventing their corrosion in biological and medical applications.

Tunable and high-purity room temperature single-photon emission from atomic defects in hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grosso, Gabriele; Moon, Hyowon; Lienhard, Benjamin

Two-dimensional van der Waals materials have emerged as promising platforms for solid-state quantum information processing devices with unusual potential for heterogeneous assembly. Recently, bright and photostable single photon emitters were reported from atomic defects in layered hexagonal boron nitride (hBN), but controlling inhomogeneous spectral distribution and reducing multi-photon emission presented open challenges. Here, we demonstrate that strain control allows spectral tunability of hBN single photon emitters over 6 meV, and material processing sharply improves the single photon purity. We observe high single photon count rates exceeding 7 × 10 6 counts per second at saturation, after correcting for uncorrelated photonmore » background. Furthermore, these emitters are stable to material transfer to other substrates. High-purity and photostable single photon emission at room temperature, together with spectral tunability and transferability, opens the door to scalable integration of high-quality quantum emitters in photonic quantum technologies.« less

Tunable and high-purity room temperature single-photon emission from atomic defects in hexagonal boron nitride

DOE PAGES

Grosso, Gabriele; Moon, Hyowon; Lienhard, Benjamin; ...

2017-09-26

Two-dimensional van der Waals materials have emerged as promising platforms for solid-state quantum information processing devices with unusual potential for heterogeneous assembly. Recently, bright and photostable single photon emitters were reported from atomic defects in layered hexagonal boron nitride (hBN), but controlling inhomogeneous spectral distribution and reducing multi-photon emission presented open challenges. Here, we demonstrate that strain control allows spectral tunability of hBN single photon emitters over 6 meV, and material processing sharply improves the single photon purity. We observe high single photon count rates exceeding 7 × 10 6 counts per second at saturation, after correcting for uncorrelated photonmore » background. Furthermore, these emitters are stable to material transfer to other substrates. High-purity and photostable single photon emission at room temperature, together with spectral tunability and transferability, opens the door to scalable integration of high-quality quantum emitters in photonic quantum technologies.« less

The Effect of Adjacent Materials on the Propagation of Phonon Polaritons in Hexagonal Boron Nitride.

PubMed

Kim, Kris S; Trajanoski, Daniel; Ho, Kevin; Gilburd, Leonid; Maiti, Aniket; van der Velden, Luuk; de Beer, Sissi; Walker, Gilbert C

2017-07-06

In order to apply the ability of hexagonal boron nitride (hBN) to confine energy in the form of hyperbolic phonon polariton (HPhP) modes in photonic-electronic devices, approaches to finely control and leverage the sensitivity of these propagating waves must be investigated. Here, we show that by surrounding hBN with materials of lower/higher dielectric responses, such as air and silicon, lower/higher surface momenta of HPhPs can be achieved. Furthermore, an alternative method for preparing thin hBN crystals with minimum contamination is presented, which provides opportunities to study the sensitivity of the damping mechanism of HPhPs on adsorbed materials. Infrared scanning near-field optical microscopy (IR-SNOM) results suggest that the reflections at the upper and lower hBN interfaces are primary causes of the damping of HPhPs, and that the damping coefficients of propagating waves are highly sensitive to adjacent layers, suggesting opportunities for sensor applications.

Safety Assessment of Boron Nitride as Used in Cosmetics.

PubMed

Fiume, Monice M; Bergfeld, Wilma F; Belsito, Donald V; Hill, Ronald A; Klaassen, Curtis D; Liebler, Daniel C; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

2015-01-01

The Cosmetic Ingredient Review Expert Panel (Panel) assessed the safety of boron nitride which functions in cosmetics as a slip modifier (ie, it has a lubricating effect). Boron nitride is an inorganic compound with a crystalline form that can be hexagonal, spherical, or cubic; the hexagonal form is presumed to be used in cosmetics. The highest reported concentration of use of boron nitride is 25% in eye shadow formulations. Although boron nitride nanotubes are produced, boron nitride is not listed as a nanomaterial used in cosmetic formulations. The Panel reviewed available chemistry, animal data, and clinical data and concluded that this ingredient is safe in the present practices of use and concentration in cosmetic formulations. © The Author(s) 2015.

Gate-tunable resonant tunneling in double bilayer graphene heterostructures.

PubMed

Fallahazad, Babak; Lee, Kayoung; Kang, Sangwoo; Xue, Jiamin; Larentis, Stefano; Corbet, Christopher; Kim, Kyounghwan; Movva, Hema C P; Taniguchi, Takashi; Watanabe, Kenji; Register, Leonard F; Banerjee, Sanjay K; Tutuc, Emanuel

2015-01-14

We demonstrate gate-tunable resonant tunneling and negative differential resistance in the interlayer current-voltage characteristics of rotationally aligned double bilayer graphene heterostructures separated by hexagonal boron nitride (hBN) dielectric. An analysis of the heterostructure band alignment using individual layer densities, along with experimentally determined layer chemical potentials indicates that the resonance occurs when the energy bands of the two bilayer graphene are aligned. We discuss the tunneling resistance dependence on the interlayer hBN thickness, as well as the resonance width dependence on mobility and rotational alignment.

Effect of different thickness h-BN coatings on interface shear strength of quartz fiber reinforced Sisbnd Osbnd Csbnd N composite

NASA Astrophysics Data System (ADS)

Wang, Shubin; Zheng, Yu

2014-02-01

Hexagonal boron nitride (h-BN) coatings with different thickness were prepared on quartz fibers to improve mechanical properties of quartz fiber reinforced Sisbnd Osbnd Csbnd N composite. Scanning electron microscopy (SEM), push-out test and single edge notched beam (SENB) in three point bending test were employed to study morphology, interface shear strength and fracture toughness of the composite. The results showed that h-BN coatings changed the crack growth direction and weaken the interface shear strength efficiently. When the h-BN coating was 308.2 nm, the interface shear strength was about 5.2 MPa, which was about one-quarter of that of the sample without h-BN coatings. After the heating process for obtaining composite, the h-BN nanometer-sized grains would grow up to micron-sized hexagonal grains. Different thickness h-BN coatings had different structure. When the coatings were relatively thin, the hexagonal grains were single layer structure, and when the coatings were thicker, the hexagonal grains were multiple layer structure. This multiple layer interface phase would consume more power of cracks, thus interface shear strength of the composite decreased steadily with the increasing of h-BN coatings thickness. When the coating thickness was 238.8 nm, KIC reaches the peak value 3.8 MPa m1/2, which was more than two times of that of composites without h-BN coatings.

Long-range propagation of plasmon and phonon polaritons in hyperbolic-metamaterial waveguides

NASA Astrophysics Data System (ADS)

Babicheva, Viktoriia E.

2017-12-01

We study photonic multilayer waveguides that include layers of materials and metamaterials with a hyperbolic dispersion (HMM). We consider the long-range propagation of plasmon and phonon polaritons at the dielectric-HMM interface in different waveguide geometries (single boundary or different layers of symmetric cladding). In contrast to the traditional analysis of geometrical parameters, we make an emphasis on the optical properties of constituent materials: solving dispersion equations, we analyze how dielectric and HMM permittivities affect propagation length and mode size of waveguide eigenmodes. We derive figures of merit that should be used for each waveguide in a broad range of permittivity values as well as compare them with plasmonic waveguides. We show that the conventional plasmonic quality factor, which is the ratio of real to imaginary parts of permittivity, is not applicable to the case of waveguides with complex structure. Both telecommunication wavelengths and mid-infrared spectral ranges are of interest considering recent advances in van der Waals materials, such as hexagonal boron nitride. We evaluate the performance of the waveguides with hexagonal boron nitride in the range where it possesses hyperbolic dispersion (wavelength 6.3-7.3 μm), and we show that these waveguides with natural hyperbolic properties have higher propagation lengths than metal-based HMM waveguides.

Electrical spin injection, transport, and detection in graphene-hexagonal boron nitride van der Waals heterostructures: progress and perspectives

NASA Astrophysics Data System (ADS)

Gurram, M.; Omar, S.; van Wees, B. J.

2018-07-01

The current research in graphene spintronics strives for achieving a long spin lifetime, and efficient spin injection and detection in graphene. In this article, we review how hexagonal boron nitride (hBN) has evolved as a crucial substrate, as an encapsulation layer, and as a tunnel barrier for manipulation and control of spin lifetimes and spin injection/detection polarizations in graphene spin valve devices. First, we give an overview of the challenges due to conventional SiO2/Si substrate for spin transport in graphene followed by the progress made in hBN based graphene heterostructures. Then we discuss in detail the shortcomings and developments in using conventional oxide tunnel barriers for spin injection into graphene followed by introducing the recent advancements in using the crystalline single/bi/tri-layer hBN tunnel barriers for an improved spin injection and detection which also can facilitate two-terminal spin valve and Hanle measurements at room temperature, and are of technological importance. A special case of bias induced spin polarization of contacts with exfoliated and chemical vapour deposition (CVD) grown hBN tunnel barriers is also discussed. Further, we give our perspectives on utilizing graphene-hBN heterostructures for future developments in graphene spintronics.

Tuning the Schottky rectification in graphene-hexagonal boron nitride-molybdenum disulfide heterostructure.

PubMed

Liu, Biao; Zhao, Yu-Qing; Yu, Zhuo-Liang; Wang, Lin-Zhi; Cai, Meng-Qiu

2018-03-01

It was still a great challenge to design high performance of rectification characteristic for the rectifier diode. Lately, a new approach was proposed experimentally to tune the Schottky barrier height (SBH) by inserting an ultrathin insulated tunneling layer to form metal-insulator-semiconductor (MIS) heterostructures. However, the electronic properties touching off the high performance of these heterostructures and the possibility of designing more efficient applications for the rectifier diode were not presently clear. In this paper, the structural, electronic and interfacial properties of the novel MIS diode with the graphene/hexagonal boron nitride/monolayer molybdenum disulfide (GBM) heterostructure had been investigated by first-principle calculations. The calculated results showed that the intrinsic properties of graphene and MoS 2 were preserved due to the weak van der Waals contact. The height of interfacial Schottky barrier can be tuned by the different thickness of hBN layers. In addition, the GBM Schottky diode showed more excellent rectification characteristic than that of GM Schottky diode due to the interfacial band bending caused by the epitaxial electric field. Based on the electronic band structure, we analyzed the relationship between the electronic structure and the nature of the Schottky rectifier, and revealed the potential of utilizing GBM Schottky diode for the higher rectification characteristic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

Growth optimization and applicability of thick on-axis SiC layers using sublimation epitaxy in vacuum

NASA Astrophysics Data System (ADS)

Jokubavicius, Valdas; Sun, Jianwu; Liu, Xinyu; Yazdi, Gholamreza; Ivanov, Ivan. G.; Yakimova, Rositsa; Syväjärvi, Mikael

2016-08-01

We demonstrate growth of thick SiC layers (100-200 μm) on nominally on-axis hexagonal substrates using sublimation epitaxy in vacuum (10-5 mbar) at temperatures varying from 1700 to 1975 °C with growth rates up to 270 μm/h and 70 μm/h for 6H- and 4H-SiC, respectively. The stability of hexagonal polytypes are related to process growth parameters and temperature profile which can be engineered using different thermal insulation materials and adjustment of the induction coil position with respect to the graphite crucible. We show that there exists a range of growth rates for which single-hexagonal polytype free of foreign polytype inclusions can be maintained. Further on, foreign polytypes like 3C-SiC can be stabilized by moving out of the process window. The applicability of on-axis growth is demonstrated by growing a 200 μm thick homoepitaxial 6H-SiC layer co-doped with nitrogen and boron in a range of 1018 cm-3 at a growth rate of about 270 μm/h. Such layers are of interest as a near UV to visible light converters in a monolithic white light emitting diode concept, where subsequent nitride-stack growth benefits from the on-axis orientation of the SiC layer.

Type-controlled nanodevices based on encapsulated few-layer black phosphorus for quantum transport

NASA Astrophysics Data System (ADS)

Long, Gen; Xu, Shuigang; Shen, Junying; Hou, Jianqiang; Wu, Zefei; Han, Tianyi; Lin, Jiangxiazi; Wong, Wing Ki; Cai, Yuan; Lortz, Rolf; Wang, Ning

2016-09-01

We demonstrate that encapsulation of atomically thin black phosphorus (BP) by hexagonal boron nitride (h-BN) sheets is very effective for minimizing the interface impurities induced during fabrication of BP channel material for quantum transport nanodevices. Highly stable BP nanodevices with ultrahigh mobility and controllable types are realized through depositing appropriate metal electrodes after conducting a selective etching to the BP encapsulation structure. Chromium and titanium are suitable metal electrodes for BP channels to control the transition from a p-type unipolar property to ambipolar characteristic because of different work functions. Record-high mobilities of 6000 cm2 V-1 s-1 and 8400 cm2 V-1 s-1 are respectively obtained for electrons and holes at cryogenic temperatures. High-mobility BP devices enable the investigation of quantum oscillations with an indistinguishable Zeeman effect in laboratory magnetic field.

Achieving Ultrahigh Carrier Mobility in Two-Dimensional Hole Gas of Black Phosphorus.

PubMed

Long, Gen; Maryenko, Denis; Shen, Junying; Xu, Shuigang; Hou, Jianqiang; Wu, Zefei; Wong, Wing Ki; Han, Tianyi; Lin, Jiangxiazi; Cai, Yuan; Lortz, Rolf; Wang, Ning

2016-12-14

We demonstrate that a field-effect transistor (FET) made of few-layer black phosphorus (BP) encapsulated in hexagonal boron nitride (h-BN) in vacuum exhibits a room-temperature hole mobility of 5200 cm 2 /(Vs), being limited just by the phonon scattering. At cryogenic temperatures, the FET mobility increases up to 45 000 cm 2 /(Vs), which is five times higher compared to the mobility obtained in earlier reports. The unprecedentedly clean h-BN-BP-h-BN heterostructure exhibits Shubnikov-de Haas oscillations and a quantum Hall effect with Landau level (LL) filling factors down to v = 2 in conventional laboratory magnetic fields. Moreover, carrier density independent effective mass of m * = 0.26 m 0 is measured, and a Landé g-factor of g = 2.47 is reported. Furthermore, an indication for a distinct hole transport behavior with up- and down-spin orientations is found.

Toward achieving flexible and high sensitivity hexagonal boron nitride neutron detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maity, A.; Grenadier, S. J.; Li, J.

Hexagonal boron nitride (h-BN) detectors have demonstrated the highest thermal neutron detection efficiency to date among solid-state neutron detectors at about 51%. We report here the realization of h-BN neutron detectors possessing one order of magnitude enhancement in the detection area but maintaining an equal level of detection efficiency of previous achievement.

Toward achieving flexible and high sensitivity hexagonal boron nitride neutron detectors

DOE PAGES

Maity, A.; Grenadier, S. J.; Li, J.; ...

2017-07-17

Hexagonal boron nitride (h-BN) detectors have demonstrated the highest thermal neutron detection efficiency to date among solid-state neutron detectors at about 51%. We report here the realization of h-BN neutron detectors possessing one order of magnitude enhancement in the detection area but maintaining an equal level of detection efficiency of previous achievement.

Efficient Carrier-to-Exciton Conversion in Field Emission Tunnel Diodes Based on MIS-Type van der Waals Heterostack.

PubMed

Wang, Shunfeng; Wang, Junyong; Zhao, Weijie; Giustiniano, Francesco; Chu, Leiqiang; Verzhbitskiy, Ivan; Zhou Yong, Justin; Eda, Goki

2017-08-09

We report on efficient carrier-to-exciton conversion and planar electroluminescence from tunnel diodes based on a metal-insulator-semiconductor (MIS) van der Waals heterostack consisting of few-layer graphene (FLG), hexagonal boron nitride (hBN), and monolayer tungsten disulfide (WS 2 ). These devices exhibit excitonic electroluminescence with extremely low threshold current density of a few pA·μm -2 , which is several orders of magnitude lower compared to the previously reported values for the best planar EL devices. Using a reference dye, we estimate the EL quantum efficiency to be ∼1% at low current density limit, which is of the same order of magnitude as photoluminescence quantum yield at the equivalent excitation rate. Our observations reveal that the efficiency of our devices is not limited by carrier-to-exciton conversion efficiency but by the inherent exciton-to-photon yield of the material. The device characteristics indicate that the light emission is triggered by injection of hot minority carriers (holes) to n-doped WS 2 by Fowler-Nordheim tunneling and that hBN serves as an efficient hole-transport and electron-blocking layer. Our findings offer insight into the intelligent design of van der Waals heterostructures and avenues for realizing efficient excitonic devices.

Large-area growth of multi-layer hexagonal boron nitride on polished cobalt foils by plasma-assisted molecular beam epitaxy

PubMed Central

Xu, Zhongguang; Tian, Hao; Khanaki, Alireza; Zheng, Renjing; Suja, Mohammad; Liu, Jianlin

2017-01-01

Two-dimensional (2D) hexagonal boron nitride (h-BN), which has a similar honeycomb lattice structure to graphene, is promising as a dielectric material for a wide variety of potential applications based on 2D materials. Synthesis of high-quality, large-size and single-crystalline h-BN domains is of vital importance for fundamental research as well as practical applications. In this work, we report the growth of h-BN films on mechanically polished cobalt (Co) foils using plasma-assisted molecular beam epitaxy. Under appropriate growth conditions, the coverage of h-BN layers can be readily controlled by growth time. A large-area, multi-layer h-BN film with a thickness of 5~6 nm is confirmed by Raman spectroscopy, scanning electron microscopy, X-ray photoelectron spectroscopy and transmission electron microscopy. In addition, the size of h-BN single domains is 20~100 μm. Dielectric property of as-grown h-BN film is evaluated by characterization of Co(foil)/h-BN/Co(contact) capacitor devices. Breakdown electric field is in the range of 3.0~3.3 MV/cm, which indicates that the epitaxial h-BN film has good insulating characteristics. In addition, the effect of substrate morphology on h-BN growth is discussed regarding different domain density, lateral size, and thickness of the h-BN films grown on unpolished and polished Co foils. PMID:28230178

Exciton–polaritons in van der Waals heterostructures embedded in tunable microcavities

PubMed Central

Dufferwiel, S.; Schwarz, S.; Withers, F.; Trichet, A. A. P.; Li, F.; Sich, M.; Del Pozo-Zamudio, O.; Clark, C.; Nalitov, A.; Solnyshkov, D. D.; Malpuech, G.; Novoselov, K. S.; Smith, J. M.; Skolnick, M. S.; Krizhanovskii, D. N.; Tartakovskii, A. I.

2015-01-01

Layered materials can be assembled vertically to fabricate a new class of van der Waals heterostructures a few atomic layers thick, compatible with a wide range of substrates and optoelectronic device geometries, enabling new strategies for control of light–matter coupling. Here, we incorporate molybdenum diselenide/hexagonal boron nitride (MoSe2/hBN) quantum wells in a tunable optical microcavity. Part-light–part-matter polariton eigenstates are observed as a result of the strong coupling between MoSe2 excitons and cavity photons, evidenced from a clear anticrossing between the neutral exciton and the cavity modes with a splitting of 20 meV for a single MoSe2 monolayer, enhanced to 29 meV in MoSe2/hBN/MoSe2 double-quantum wells. The splitting at resonance provides an estimate of the exciton radiative lifetime of 0.4 ps. Our results pave the way for room-temperature polaritonic devices based on multiple-quantum-well van der Waals heterostructures, where polariton condensation and electrical polariton injection through the incorporation of graphene contacts may be realized. PMID:26446783

Interface designed MoS2/GaAs heterostructure solar cell with sandwich stacked hexagonal boron nitride

PubMed Central

Lin, Shisheng; Li, Xiaoqiang; Wang, Peng; Xu, Zhijuan; Zhang, Shengjiao; Zhong, Huikai; Wu, Zhiqian; Xu, Wenli; Chen, Hongsheng

2015-01-01

MoS2 is a layered two-dimensional semiconductor with a direct band gap of 1.8 eV. The MoS2/bulk semiconductor system offers a new platform for solar cell device design. Different from the conventional bulk p-n junctions, in the MoS2/bulk semiconductor heterostructure, static charge transfer shifts the Fermi level of MoS2 toward that of bulk semiconductor, lowering the barrier height of the formed junction. Herein, we introduce hexagonal boron nitride (h-BN) into MoS2/GaAs heterostructure to suppress the static charge transfer, and the obtained MoS2/h-BN/GaAs solar cell exhibits an improved power conversion efficiency of 5.42%. More importantly, the sandwiched h-BN makes the Fermi level tuning of MoS2 more effective. By employing chemical doping and electrical gating into the solar cell device, PCE of 9.03% is achieved, which is the highest among all the reported monolayer transition metal dichalcogenide based solar cells. PMID:26458358

Electrically insulating thermal nano-oils using 2D fillers.

PubMed

Taha-Tijerina, Jaime; Narayanan, Tharangattu N; Gao, Guanhui; Rohde, Matthew; Tsentalovich, Dmitri A; Pasquali, Matteo; Ajayan, Pulickel M

2012-02-28

Different nanoscale fillers have been used to create composite fluids for applications such as thermal management. The ever increasing thermal loads in applications now require advanced operational fluids, for example, high thermal conductivity dielectric oils in transformers. These oils require excellent filler dispersion, high thermal conduction, but also electrical insulation. Such thermal oils that conform to this thermal/electrical requirement, and yet remain in highly suspended stable state, have not yet been synthesized. We report here the synthesis and characterization of stable high thermal conductivity Newtonian nanofluids using exfoliated layers of hexagonal boron nitride in oil without compromising its electrically insulating property. Two-dimensional nanosheets of hexagonal boron nitride are liquid exfoliated in isopropyl alcohol and redispersed in mineral oil, used as standard transformer oil, forming stable nanosuspensions with high shelf life. A high electrical resistivity, even higher than that of the base oil, is maintained for the nano-oil containing small weight fraction of the filler (0.01 wt %), whereas the thermal conductivity was enhanced. The low dissipation factor and high pour point for this nano-oil suggests several applications in thermal management.

Hexagonal MoTe2 with Amorphous BN Passivation Layer for Improved Oxidation Resistance and Endurance of 2D Field Effect Transistors.

PubMed

Sirota, Benjamin; Glavin, Nicholas; Krylyuk, Sergiy; Davydov, Albert V; Voevodin, Andrey A

2018-06-06

Environmental and thermal stability of two-dimensional (2D) transition metal dichalcogenides (TMDs) remains a fundamental challenge towards enabling robust electronic devices. Few-layer 2H-MoTe 2 with an amorphous boron nitride (a-BN) covering layer was synthesized as a channel for back-gated field effect transistors (FET) and compared to uncovered MoTe 2 . A systematic approach was taken to understand the effects of heat treatment in air on the performance of FET devices. Atmospheric oxygen was shown to negatively affect uncoated MoTe 2 devices while BN-covered FETs showed considerably enhanced chemical and electronic characteristic stability. Uncapped MoTe 2 FET devices, which were heated in air for one minute, showed a polarity switch from n- to p-type at 150 °C, while BN-MoTe 2 devices switched only after 200 °C of heat treatment. Time-dependent experiments at 100 °C showed that uncapped MoTe 2 samples exhibited the polarity switch after 15 min of heat treatment while the BN-capped device maintained its n-type conductivity for the maximum 60 min duration of the experiment. X-ray photoelectron spectroscopy (XPS) analysis suggests that oxygen incorporation into MoTe 2 was the primary doping mechanism for the polarity switch. This work demonstrates the effectiveness of an a-BN capping layer in preserving few-layer MoTe 2 material quality and controlling its conductivity type at elevated temperatures in an atmospheric environment.

Ion beam modification of the structure and properties of hexagonal boron nitride: An infrared and X-ray diffraction study

NASA Astrophysics Data System (ADS)

Aradi, E.; Naidoo, S. R.; Billing, D. G.; Wamwangi, D.; Motochi, I.; Derry, T. E.

2014-07-01

The vibrational mode for the cubic symmetry of boron nitride (BN) has been produced by boron ion implantation of hexagonal boron nitride (h-BN). The optimum fluence at 150 keV was found to be 5 × 1014 ions/cm2. The presence of the c-BN phase was inferred using glancing incidence XRD (GIXRD) and Fourier Transform Infrared Spectroscopy (FTIR). After implantation, Fourier Transform Infrared Spectroscopy indicated a peak at 1092 cm-1 which corresponds to the vibrational mode for nanocrystalline BN (nc-BN). The glancing angle XRD pattern after implantation exhibited c-BN diffraction peaks relative to the implantation depth of 0.4 μm.

Spherical boron nitride particles and method for preparing them

DOEpatents

Phillips, Jonathan; Gleiman, Seth S.; Chen, Chun-Ku

2003-11-25

Spherical and polyhedral particles of boron nitride and method of preparing them. Spherical and polyhedral particles of boron nitride are produced from precursor particles of hexagonal phase boron nitride suspended in an aerosol gas. The aerosol is directed to a microwave plasma torch. The torch generates plasma at atmospheric pressure that includes nitrogen atoms. The presence of nitrogen atoms is critical in allowing boron nitride to melt at atmospheric pressure while avoiding or at least minimizing decomposition. The plasma includes a plasma hot zone, which is a portion of the plasma that has a temperature sufficiently high to melt hexagonal phase boron nitride. In the hot zone, the precursor particles melt to form molten particles that acquire spherical and polyhedral shapes. These molten particles exit the hot zone, cool, and solidify to form solid particles of boron nitride with spherical and polyhedral shapes. The molten particles can also collide and join to form larger molten particles that lead to larger spherical and polyhedral particles.

Environmental Electrometry with Luminescent Carbon Nanotubes.

PubMed

Noé, Jonathan C; Nutz, Manuel; Reschauer, Jonathan; Morell, Nicolas; Tsioutsios, Ioannis; Reserbat-Plantey, Antoine; Watanabe, Kenji; Taniguchi, Takashi; Bachtold, Adrian; Högele, Alexander

2018-06-25

We demonstrate that localized excitons in luminescent carbon nanotubes can be utilized to study electrostatic fluctuations in the nanotube environment with sensitivity down to the elementary charge. By monitoring the temporal evolution of the cryogenic photoluminescence from individual carbon nanotubes grown on silicon oxide and hexagonal boron nitride, we characterize the dynamics of charge trap defects for both dielectric supports. We find a one order of magnitude reduction in the photoluminescence spectral wandering for nanotubes on extended atomically flat terraces of hexagonal boron nitride. For nanotubes on hexagonal boron nitride with pronounced spectral fluctuations, our analysis suggests proximity to terrace ridges where charge fluctuators agglomerate to exhibit areal densities exceeding those of silicon oxide. Our results establish carbon nanotubes as sensitive probes of environmental charge fluctuations and highlight their potential for applications in electrometric nanodevices with all-optical readout.

Ionizing and Non-ionizing Radiation Effects in Thin Layer Hexagonal Boron Nitride

DTIC Science & Technology

2015-03-01

capacitance-voltage measurements indicating Frenkel-Poole (FP) and Fowler-Nordheim tunneling (FNT) are the primary current mechanisms before and after...linear FNT model and a 0.013 eV increase in the barrier potential for the FP model. There was a decrease of 0.19 eV in the tunneling potential for the...non-linear FNT model. Defects generated by the neutron damage increased currents by increasing trap assisted tunneling (TAT). v

Gas-exfoliated porous monolayer boron nitride for enhanced aerobic oxidative desulfurization performance.

PubMed

Wu, Yingcheng; Wu, Peiwen; Chao, Yanhong; He, Jing; Li, Hongping; Lu, Linjie; Jiang, Wei; Zhang, Beibei; Li, Huaming; Zhu, Wenshuai

2018-01-12

Hexagonal boron nitride has been regarded to be an efficient catalyst in aerobic oxidation fields, but limited by the less-exposed active sites. In this contribution, we proposed a simple green liquid nitrogen gas exfoliation strategy for preparation of porous monolayer nanosheets (BN-1). Owing to the reduced layer numbers, decreased lateral sizes and artificially-constructed pores, increased exposure of active sites was expected, further contributed to an enhanced aerobic oxidative desulfurization (ODS) performance up to ∼98% of sulfur removal, achieving ultra-deep desulfurization. This work not only introduced an excellent catalyst for aerobic ODS, but also provided a strategy for construction of some other highly-efficient monolayer two-dimensional materials for enhanced catalytic performance.

Real-time oxide evolution of copper protected by graphene and boron nitride barriers.

PubMed

Galbiati, M; Stoot, A C; Mackenzie, D M A; Bøggild, P; Camilli, L

2017-01-09

Applying protective or barrier layers to isolate a target item from the environment is a common approach to prevent or delay its degradation. The impermeability of two-dimensional materials such as graphene and hexagonal boron nitride (hBN) has generated a great deal of interest in corrosion and material science. Owing to their different electronic properties (graphene is a semimetal, whereas hBN is a wide-bandgap insulator), their protection behaviour is distinctly different. Here we investigate the performance of graphene and hBN as barrier coatings applied on copper substrates through a real-time study in two different oxidative conditions. Our findings show that the evolution of the copper oxidation is remarkably different for the two coating materials.

Gas-exfoliated porous monolayer boron nitride for enhanced aerobic oxidative desulfurization performance

NASA Astrophysics Data System (ADS)

Wu, Yingcheng; Wu, Peiwen; Chao, Yanhong; He, Jing; Li, Hongping; Lu, Linjie; Jiang, Wei; Zhang, Beibei; Li, Huaming; Zhu, Wenshuai

2018-01-01

Hexagonal boron nitride has been regarded to be an efficient catalyst in aerobic oxidation fields, but limited by the less-exposed active sites. In this contribution, we proposed a simple green liquid nitrogen gas exfoliation strategy for preparation of porous monolayer nanosheets (BN-1). Owing to the reduced layer numbers, decreased lateral sizes and artificially-constructed pores, increased exposure of active sites was expected, further contributed to an enhanced aerobic oxidative desulfurization (ODS) performance up to ˜98% of sulfur removal, achieving ultra-deep desulfurization. This work not only introduced an excellent catalyst for aerobic ODS, but also provided a strategy for construction of some other highly-efficient monolayer two-dimensional materials for enhanced catalytic performance.

Mechanical properties of atomically thin boron nitride and the role of interlayer interactions

PubMed Central

Falin, Aleksey; Cai, Qiran; Santos, Elton J. G.; Scullion, Declan; Qian, Dong; Zhang, Rui; Yang, Zhi; Huang, Shaoming; Watanabe, Kenji; Taniguchi, Takashi; Barnett, Matthew R.; Chen, Ying; Ruoff, Rodney S.; Li, Lu Hua

2017-01-01

Atomically thin boron nitride (BN) nanosheets are important two-dimensional nanomaterials with many unique properties distinct from those of graphene, but investigation into their mechanical properties remains incomplete. Here we report that high-quality single-crystalline mono- and few-layer BN nanosheets are one of the strongest electrically insulating materials. More intriguingly, few-layer BN shows mechanical behaviours quite different from those of few-layer graphene under indentation. In striking contrast to graphene, whose strength decreases by more than 30% when the number of layers increases from 1 to 8, the mechanical strength of BN nanosheets is not sensitive to increasing thickness. We attribute this difference to the distinct interlayer interactions and hence sliding tendencies in these two materials under indentation. The significantly better interlayer integrity of BN nanosheets makes them a more attractive candidate than graphene for several applications, for example, as mechanical reinforcements. PMID:28639613

Achieving Ohmic Contact for High-quality MoS2 Devices on Hexagonal Boron Nitride

NASA Astrophysics Data System (ADS)

Cui, Xu

MoS2, among many other transition metal dichalcogenides (TMDCs), holds great promise for future applications in nano-electronics, opto-electronics and mechanical devices due to its ultra-thin nature, flexibility, sizable band-gap, and unique spin-valley coupled physics. However, there are two main challenges that hinder careful study of this material. Firstly, it is hard to achieve Ohmic contacts to mono-layer MoS2, particularly at low temperatures (T) and low carrier densities. Secondly, materials' low quality and impurities introduced during the fabrication significantly limit the electron mobility of mono- and few-layer MoS2 to be substantially below theoretically predicted limits, which has hampered efforts to observe its novel quantum transport behaviours. Traditional low work function metals doesn't necessary provide good electron injection to thin MoS2 due to metal oxidation, Fermi level pinning, etc. To address the first challenge, we tried multiple contact schemes and found that mono-layer hexagonal boron nitride (h-BN) and cobalt (Co) provide robust Ohmic contact. The mono-layer spacer serves two advantageous purposes: it strongly interacts with the transition metal, reducing its work function by over 1 eV; and breaks the metal-TMDCs interaction to eliminate the interfacial states that cause Fermi level pinning. We measure a flat-band Schottky barrier of 16 meV, which makes thin tunnel barriers upon doping the channels, and thus achieve low-T contact resistance of 3 kohm.um at a carrier density of 5.3x10. 12/cm. 2. Similar to graphene, eliminating all potential sources of disorder and scattering is the key to achieving high performance in MoS2 devices. We developed a van der Waals heterostructure device platform where MoS2 layers are fully encapsulated within h-BN and electrically contacted in a multi-terminal geometry using gate-tunable graphene electrodes. The h-BN-encapsulation provides excellent protection from environmental factors, resulting in highly stable device performance, even at elevated temperatures. Both optical and electrical characterization confirms our high quality devices, including an ultra-clean interface, a record-high Hall mobility reaching 34,000 cm. 2/Vs, and first observation of Shubnikov–de Haas oscillations. The development of Ohmic contact and fabrication of high quality devices are critical to MoS2 application and studying its intrinsic properties. Therefore, the progress made in this work will facilitate efforts to study novel physical phenomena of MoS2 that were not accessible before.

Structural and electronic properties of multilayer graphene on monolayer hexagonal boron nitride/nickel (111) interface system: A van der Waals density functional study

NASA Astrophysics Data System (ADS)

Yelgel, Celal

2016-02-01

The structural and electronic properties of multilayer graphene adsorbed on monolayer hexagonal boron nitride (h-BN)/Ni(111) interface system are investigated using the density functional theory with a recently developed non-local van der Waals density functional (rvv10). The most energetically favourable configuration for a monolayer h-BN/Ni(111) interface is found to be N atom atop the Ni atoms and B atom in fcc site with the interlayer distance of 2.04 Å and adsorption energy of 302 meV/BN. Our results show that increasing graphene layers on a monolayer h-BN/Ni(111) interface leads to a weakening of the interfacial interaction between the monolayer h-BN and Ni(111) surface. The adsorption energy of graphene layers on the h-BN/Ni(111) interface is found to be in the range of the 50-120 meV/C atom as the vertical distance from h-BN to the bottommost graphene layers decreases. With the adsorption of a multilayer graphene on the monolayer h-BN/Ni(111) interface system, the band gap of 0.12 eV and 0.25 eV opening in monolayer graphene and bilayer graphene near the K point is found with an upward shifting of the Fermi level. However, a stacking-sensitive band gap is opened in trilayer graphene. We obtain the band gap of 0.35 eV close to the K point with forming a Mexican hat band structure for ABC-stacked trilayer graphene.

Probing carbon impurities in hexagonal boron nitride epilayers

NASA Astrophysics Data System (ADS)

Uddin, M. R.; Li, J.; Lin, J. Y.; Jiang, H. X.

2017-05-01

Carbon doped hexagonal boron nitride epilayers have been grown by metal organic chemical vapor deposition. Photocurrent excitation spectroscopy has been utilized to probe the energy levels associated with carbon impurities in hexagonal boron nitride (h-BN). The observed transition peaks in photocurrent excitation spectra correspond well to the energy positions of the bandgap, substitutional donors (CB, carbon impurities occupying boron sites), and substitutional acceptors (CN, carbon impurities occupying nitrogen sites). From the observed transition peak positions, the derived energy level of CB donors in h-BN is ED ˜ 0.45 eV, which agrees well with the value deduced from the temperature dependent electrical resistivity. The present study further confirms that the room temperature bandgap of h-BN is about 6.42-6.45 eV, and the CN deep acceptors have an energy level of about 2.2-2.3 eV. The results also infer that carbon doping introduces both shallow donors (CB) and deep acceptors (CN) via self-compensation, and the energy level of carbon donors appears to be too deep to enable carbon as a viable candidate as an n-type dopant in h-BN epilayers.

Suppression of 1/f noise in near-ballistic h-BN-graphene-h-BN heterostructure field-effect transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stolyarov, Maxim A.; Liu, Guanxiong; Balandin, Alexander A., E-mail: balandin@ee.ucr.edu

2015-07-13

We have investigated low-frequency 1/f noise in the boron nitride–graphene–boron nitride heterostructure field-effect transistors on Si/SiO{sub 2} substrates (f is a frequency). The device channel was implemented with a single layer graphene encased between two layers of hexagonal boron nitride. The transistors had the charge carrier mobility in the range from ∼30 000 to ∼36 000 cm{sup 2}/Vs at room temperature. It was established that the noise spectral density normalized to the channel area in such devices can be suppressed to ∼5 × 10{sup −9 }μm{sup 2 }Hz{sup −1}, which is a factor of ×5 – ×10 lower than that in non-encapsulated graphene devices on Si/SiO{sub 2}. The physicalmore » mechanism of noise suppression was attributed to screening of the charge carriers in the channel from traps in SiO{sub 2} gate dielectric and surface defects. The obtained results are important for the electronic and optoelectronic applications of graphene.« less

Strain, stabilities and electronic properties of hexagonal BN bilayers

NASA Astrophysics Data System (ADS)

Fujimoto, Yoshitaka; Saito, Susumu

Hexagonal boron nitride (h-BN) atomic layers have been regarded as fascinating materials both scientifically and technologically due to the sizable band gap. This sizable band-gap nature of the h-BN atomic layers would provide not only new physical properties but also novel nano- and/or opto-electronics applications. Here, we study the first-principles density-functional study that clarifies the biaxial strain effects on the energetics and the electronic properties of h-BN bilayers. We show that the band gaps of the h-BN bilayers are tunable by applying strains. Furthermore, we show that the biaxial strains can produce a transition from indirect to direct band gaps of the h-BN bilayer. We also discuss that both AA and AB stacking patterns of h-BN bilayer become feasible structures because h-BN bilayers possess two different directions in the stacking patterns. Supported by MEXT Elements Strategy Initiative to Form Core Research Center through Tokodai Institute for Element Strategy, JSPS KAKENHI Grant Numbers JP26390062 and JP25107005.

Defect mediated van der Waals epitaxy of hexagonal boron nitride on graphene

NASA Astrophysics Data System (ADS)

Heilmann, M.; Bashouti, M.; Riechert, H.; Lopes, J. M. J.

2018-04-01

Van der Waals heterostructures comprising of hexagonal boron nitride and graphene are promising building blocks for novel two-dimensional devices such as atomically thin transistors or capacitors. However, demonstrators of those devices have been so far mostly fabricated by mechanical assembly, a non-scalable and time-consuming method, where transfer processes can contaminate the surfaces. Here, we investigate a direct growth process for the fabrication of insulating hexagonal boron nitride on high quality epitaxial graphene using plasma assisted molecular beam epitaxy. Samples were grown at varying temperatures and times and studied using atomic force microscopy, revealing a growth process limited by desorption at high temperatures. Nucleation was mostly commencing from morphological defects in epitaxial graphene, such as step edges or wrinkles. Raman spectroscopy combined with x-ray photoelectron measurements confirm the formation of hexagonal boron nitride and prove the resilience of graphene against the nitrogen plasma used during the growth process. The electrical properties and defects in the heterostructures were studied with high lateral resolution by tunneling current and Kelvin probe force measurements. This correlated approach revealed a nucleation apart from morphological defects in epitaxial graphene, which is mediated by point defects. The presented results help understanding the nucleation and growth behavior during van der Waals epitaxy of 2D materials, and point out a route for a scalable production of van der Waals heterostructures.

Two-dimensional non-volatile programmable p-n junctions

NASA Astrophysics Data System (ADS)

Li, Dong; Chen, Mingyuan; Sun, Zhengzong; Yu, Peng; Liu, Zheng; Ajayan, Pulickel M.; Zhang, Zengxing

2017-09-01

Semiconductor p-n junctions are the elementary building blocks of most electronic and optoelectronic devices. The need for their miniaturization has fuelled the rapid growth of interest in two-dimensional (2D) materials. However, the performance of a p-n junction considerably degrades as its thickness approaches a few nanometres and traditional technologies, such as doping and implantation, become invalid at the nanoscale. Here we report stable non-volatile programmable p-n junctions fabricated from the vertically stacked all-2D semiconductor/insulator/metal layers (WSe2/hexagonal boron nitride/graphene) in a semifloating gate field-effect transistor configuration. The junction exhibits a good rectifying behaviour with a rectification ratio of 104 and photovoltaic properties with a power conversion efficiency up to 4.1% under a 6.8 nW light. Based on the non-volatile programmable properties controlled by gate voltages, the 2D p-n junctions have been exploited for various electronic and optoelectronic applications, such as memories, photovoltaics, logic rectifiers and logic optoelectronic circuits.

Two-dimensional non-volatile programmable p-n junctions.

PubMed

Li, Dong; Chen, Mingyuan; Sun, Zhengzong; Yu, Peng; Liu, Zheng; Ajayan, Pulickel M; Zhang, Zengxing

2017-09-01

Semiconductor p-n junctions are the elementary building blocks of most electronic and optoelectronic devices. The need for their miniaturization has fuelled the rapid growth of interest in two-dimensional (2D) materials. However, the performance of a p-n junction considerably degrades as its thickness approaches a few nanometres and traditional technologies, such as doping and implantation, become invalid at the nanoscale. Here we report stable non-volatile programmable p-n junctions fabricated from the vertically stacked all-2D semiconductor/insulator/metal layers (WSe 2 /hexagonal boron nitride/graphene) in a semifloating gate field-effect transistor configuration. The junction exhibits a good rectifying behaviour with a rectification ratio of 10 4 and photovoltaic properties with a power conversion efficiency up to 4.1% under a 6.8 nW light. Based on the non-volatile programmable properties controlled by gate voltages, the 2D p-n junctions have been exploited for various electronic and optoelectronic applications, such as memories, photovoltaics, logic rectifiers and logic optoelectronic circuits.

Observation of biexcitonic emission at extremely low power density in tungsten disulfide atomic layers grown on hexagonal boron nitride.

PubMed

Okada, Mitsuhiro; Miyauchi, Yuhei; Matsuda, Kazunari; Taniguchi, Takashi; Watanabe, Kenji; Shinohara, Hisanori; Kitaura, Ryo

2017-03-23

Monolayer transition metal dichalcogenides (TMDCs) including WS 2 , MoS 2 , WSe 2 and WS 2 , are two-dimensional semiconductors with direct bandgap, providing an excellent field for exploration of many-body effects in 2-dimensions (2D) through optical measurements. To fully explore the physics of TMDCs, the prerequisite is preparation of high-quality samples to observe their intrinsic properties. For this purpose, we have focused on high-quality samples, WS 2 grown by chemical vapor deposition method with hexagonal boron nitride as substrates. We observed sharp exciton emissions, whose linewidth is typically 22~23 meV, in photoluminescence spectra at room temperature, which result clearly demonstrates the high-quality of the current samples. We found that biexcitons formed with extremely low-excitation power (240 W/cm 2 ) at 80 K, and this should originate from the minimal amount of localization centers in the present high-quality samples. The results clearly demonstrate that the present samples can provide an excellent field, where one can observe various excitonic states, offering possibility of exploring optical physics in 2D and finding new condensates.

Twist-controlled resonant tunnelling in graphene/boron nitride/graphene heterostructures.

PubMed

Mishchenko, A; Tu, J S; Cao, Y; Gorbachev, R V; Wallbank, J R; Greenaway, M T; Morozov, V E; Morozov, S V; Zhu, M J; Wong, S L; Withers, F; Woods, C R; Kim, Y-J; Watanabe, K; Taniguchi, T; Vdovin, E E; Makarovsky, O; Fromhold, T M; Fal'ko, V I; Geim, A K; Eaves, L; Novoselov, K S

2014-10-01

Recent developments in the technology of van der Waals heterostructures made from two-dimensional atomic crystals have already led to the observation of new physical phenomena, such as the metal-insulator transition and Coulomb drag, and to the realization of functional devices, such as tunnel diodes, tunnel transistors and photovoltaic sensors. An unprecedented degree of control of the electronic properties is available not only by means of the selection of materials in the stack, but also through the additional fine-tuning achievable by adjusting the built-in strain and relative orientation of the component layers. Here we demonstrate how careful alignment of the crystallographic orientation of two graphene electrodes separated by a layer of hexagonal boron nitride in a transistor device can achieve resonant tunnelling with conservation of electron energy, momentum and, potentially, chirality. We show how the resonance peak and negative differential conductance in the device characteristics induce a tunable radiofrequency oscillatory current that has potential for future high-frequency technology.

Chemisorption of Hydroxide on 2D Materials from DFT Calculations: Graphene versus Hexagonal Boron Nitride.

PubMed

Grosjean, Benoit; Pean, Clarisse; Siria, Alessandro; Bocquet, Lydéric; Vuilleumier, Rodolphe; Bocquet, Marie-Laure

2016-11-17

Recent nanofluidic experiments revealed strongly different surface charge measurements for boron-nitride (BN) and graphitic nanotubes when in contact with saline and alkaline water (Nature 2013, 494, 455-458; Phys. Rev. Lett. 2016, 116, 154501). These observations contrast with the similar reactivity of a graphene layer and its BN counterpart, using density functional theory (DFT) framework, for intact and dissociative adsorption of gaseous water molecules. Here we investigate, by DFT in implicit water, single and multiple adsorption of anionic hydroxide on single layers. A differential adsorption strength is found in vacuum for the first ionic adsorption on the two materials-chemisorbed on BN while physisorbed on graphene. The effect of implicit solvation reduces all adsorption values, resulting in a favorable (nonfavorable) adsorption on BN (graphene). We also calculate a pK a ≃ 6 for BN in water, in good agreement with experiments. Comparatively, the unfavorable results for graphene in water echo the weaker surface charge measurements but point to an alternative scenario.

A first principles approach to magnetic and optical properties in single-layer graphene sandwiched between boron nitride monolayers

NASA Astrophysics Data System (ADS)

Das, Ritwika; Chowdhury, Suman; Jana, Debnarayan

2015-07-01

The dependence of the stability of single-layer graphene (SLG) sandwiched between hexagonal boron nitride bilayers (h-BN) has been described and investigated for different types of stacking in order to provide the fingerprint of the stacking order which affects the optical properties of such trilayer systems. Considering the four stacking models AAA-, AAB-, ABA-, and ABC-type stacking, the static dielectric functions (in case of parallel polarizations) for AAB-type stacking possesses maximum values, and minimum values are noticed for AAA. However, AAA-type stacking structures contribute the maximum magnetic moment while vanishing magnetic moments are observed for ABA and ABC stacking. The observed optical anisotropy and magnetic properties of these trilayer heterostructures (h-BN/SLG/h-BN) can be understood from the crystallographic stacking order and inherent crystal lattice symmetry. These optical and magnetic results suggest that the h-BN/SLG/h-BN could provide a viable route to graphene-based opto-electronic and spintronic devices.

Hexagonal OsB 2 reduction upon heating in H 2 containing environment

DOE PAGES

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; ...

2014-10-23

The stability of hexagonal ReB 2 type OsB 2 powder upon heating under reforming gas was investigated. Pure Os metal particles were detected by powder X-ray diffraction starting at 375⁰ C and complete transformation of OsB 2 to metallic Os was observed at 725⁰ C. The mechanisms of precipitation of metallic Os is proposed and changes in the lattice parameters of OsB 2 upon heating are analysed in terms of the presence of oxygen or water vapour in the heating chamber. Previous studies suggested that Os atoms possess (0) valence, while B atoms possess both (+3) and ( 3) valencesmore » in the alternating boron/osmium sheet structure of hexagonal (P63/mmc, No. 194) OsB 2; if controllable method for Os removal from the lattice could be found, the opportunity would arise to form two-dimensional (2D) layers consisting of pure B atoms.« less

Temperature Dependence of Raman-Active In-Plane E2g Phonons in Layered Graphene and h-BN Flakes

NASA Astrophysics Data System (ADS)

Li, Xiaoli; Liu, Jian; Ding, Kai; Zhao, Xiaohui; Li, Shuai; Zhou, Wenguang; Liang, Baolai

2018-01-01

Thermal properties of sp2 systems such as graphene and hexagonal boron nitride (h-BN) have attracted significant attention because of both systems being excellent thermal conductors. This research reports micro-Raman measurements on the in-plane E2g optical phonon peaks ( 1580 cm-1 in graphene layers and 1362 cm-1 in h-BN layers) as a function of temperature from - 194 to 200 °C. The h-BN flakes show higher sensitivity to temperature-dependent frequency shifts and broadenings than graphene flakes. Moreover, the thermal effect in the c direction on phonon frequency in h-BN layers is more sensitive than that in graphene layers but on phonon broadening in h-BN layers is similar as that in graphene layers. These results are very useful to understand the thermal properties and related physical mechanisms in h-BN and graphene flakes for applications of thermal devices.

Evaluation of boron nitride nanotubes and hexagonal boron nitrides as nanocarriers for cancer drugs.

PubMed

Emanet, Melis; Şen, Özlem; Çulha, Mustafa

2017-04-01

Boron nitride nanotubes (BNNTs) and hexagonal boron nitrides (hBNs) are novel nanostructures with high mechanical strengths, large surface areas and excellent biocompatibilities. Here, the potential use of BNNTs and hBNs as nanocarriers was comparatively investigated for use with cancer drugs. Doxorubicin (Dox) and folate are used as model drugs and targeting agents, respectively. The obtained results indicate that BNNTs have about a threefold higher Dox loading capacity than hBNs. It was also found that cellular uptake of folate-Dox-BNNTs was much higher when compared with Dox-BNNTs for HeLa cells, due to the presence of folate receptors on the cell surface, leading to increased cancer cell death. In summary, folate and Dox conjugated BNNTs are promising agents in nanomedicine and may have potential drug delivery applications.

High density hexagonal boron nitride prepared by hot isostatic pressing in refractory metal containers

DOEpatents

Hoenig, Clarence L.

1992-01-01

Boron nitride powder with less than or equal to the oxygen content of starting powder (down to 0.5% or less) is hot isostatically pressed in a refractory metal container to produce hexagonal boron nitride with a bulk density greater than 2.0 g/cc. The refractory metal container is formed of tantalum, niobium, tungsten, molybdenum or alloys thereof in the form of a canister or alternatively plasma sprayed or chemical vapor deposited onto a powder compact. Hot isostatic pressing at 1800.degree. C. and 30 KSI (206.8 MPa) argon pressure for four hours produces a bulk density of 2.21 g/cc. Complex shapes can be made.

Defect charge states in Si doped hexagonal boron-nitride monolayer

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Andrew, R. C.; Chetty, N.

2016-02-01

We perform ab initio density functional theory calculations to investigate the energetics, electronic and magnetic properties of isolated stoichiometric and non-stoichiometric substitutional Si complexes in a hexagonal boron-nitride monolayer. The Si impurity atoms substituting the boron atom sites SiB giving non-stoichiometric complexes are found to be the most energetically favourable, and are half-metallic and order ferromagnetically in the neutral charge state. We find that the magnetic moments and magnetization energies increase monotonically when Si defects form a cluster. Partial density of states and standard Mulliken population analysis indicate that the half-metallic character and magnetic moments mainly arise from the Si 3p impurity states. The stoichiometric Si complexes are energetically unfavorable and non-magnetic. When charging the energetically favourable non-stoichiometric Si complexes, we find that the formation energies strongly depend on the impurity charge states and Fermi level position. We also find that the magnetic moments and orderings are tunable by charge state modulation q  =  -2, -1, 0, +1, +2. The induced half-metallic character is lost (retained) when charging isolated (clustered) Si defect(s). This underlines the potential of a Si doped hexagonal boron-nitride monolayer for novel spin-based applications.

Unusual Enhancement in Intrinsic Thermal Conductivity of Multilayer Graphene by Tensile Strains

DOE PAGES

Kuang, Youdi; Lindsay, Lucas R.; Huang, Baoling

2015-01-01

High basal plane thermal conductivity k of multi-layer graphene makes it promising for thermal management applications. Here we examine the effects of tensile strain on thermal transport in this system. Using a first principles Boltzmann-Peierls equation for phonon transport approach, we calculate the room-temperature in-plane lattice k of multi-layer graphene (up to four layers) and graphite under different isotropic tensile strains. The calculated in-plane k of graphite, finite mono-layer graphene and 3-layer graphene agree well with previous experiments. The dimensional transitions of the intrinsic k and the extent of the diffusive transport regime from mono-layer graphene to graphite are presented.more » We find a peak enhancement of intrinsic k for multi-layer graphene and graphite with increasing strain and the largest enhancement amplitude is about 40%. In contrast the calculated intrinsic k with tensile strain decreases for diamond and diverges for graphene, we show that the competition between the decreased mode heat capacities and the increased lifetimes of flexural phonons with increasing strain contribute to this k behavior. Similar k behavior is observed for 2-layer hexagonal boron nitride systems, suggesting that it is an inherent thermal transport property in multi-layer systems assembled of purely two dimensional atomic layers. This study provides insights into engineering k of multi-layer graphene and boron nitride by strain and into the nature of thermal transport in quasi-two-dimensional and highly anisotropic systems.« less

Multifunctional cyanate ester nanocomposites reinforced by hexagonal boron nitride after noncovalent biomimetic functionalization.

PubMed

Wu, Hongchao; Kessler, Michael R

2015-03-18

Boron nitride (BN) reinforced polymer nanocomposites have attracted a growing research interest in the microelectronic industry for their uniquely thermal conductive but electrical insulating properties. To overcome the challenges in surface functionalization, in this study, hexagonal boron nitride (h-BN) nanoparticles were noncovalently modified with polydopamine in a solvent-free aqueous condition. The strong π-π interaction between the hexagonal structural BN and aromatic dopamine molecules facilitated 15 wt % polydopamine encapsulating the nanoparticles. High-performance bisphenol E cyanate ester (BECy) was incorporated by homogeneously dispersed h-BN at different loadings and functionalities to investigate their effects on thermo-mechanical, dynamic-mechanical, and dielectric properties, as well as thermal conductivity. Different theoretical and empirical models were successfully applied to predict thermal and dielectric properties of h-BN/BECy nanocomposites. Overall, the prepared h-BN/BECy nanocomposites exhibited outstanding performance in dimensional stability, dynamic-mechanical properties, and thermal conductivity, together with the controllable dielectric property and preserved thermal stability for high-temperature applications.

Boron nitride composites

DOEpatents

Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

2016-02-16

According to one embodiment, a composite product includes hexagonal boron nitride (hBN), and a plurality of cubic boron nitride (cBN) particles, wherein the plurality of cBN particles are dispersed in a matrix of the hBN. According to another embodiment, a composite product includes a plurality of cBN particles, and one or more borate-containing binders.

Direct observation of the lowest indirect exciton state in the bulk of hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Schuster, R.; Habenicht, C.; Ahmad, M.; Knupfer, M.; Büchner, B.

2018-01-01

We combine electron energy-loss spectroscopy and first-principles calculations based on density-functional theory (DFT) to identify the lowest indirect exciton state in the in-plane charge response of hexagonal boron nitride (h-BN) single crystals. This remarkably sharp mode forms a narrow pocket with a dispersion bandwidth of ˜100 meV and, as we argue based on a comparison to our DFT calculations, is predominantly polarized along the Γ K direction of the hexagonal Brillouin zone. Our data support the recent report by Cassabois et al. [Nat. Photonics 10, 262 (2016), 10.1038/nphoton.2015.277] who indirectly inferred the existence of this mode from the photoluminescence signal, thereby establishing h-BN as an indirect semiconductor.

Chemical and Bandgap Engineering in Monolayer Hexagonal Boron Nitride

PubMed Central

Ba, Kun; Jiang, Wei; Cheng, Jingxin; Bao, Jingxian; Xuan, Ningning; Sun, Yangye; Liu, Bing; Xie, Aozhen; Wu, Shiwei; Sun, Zhengzong

2017-01-01

Monolayer hexagonal boron nitride (h-BN) possesses a wide bandgap of ~6 eV. Trimming down the bandgap is technically attractive, yet poses remarkable challenges in chemistry. One strategy is to topological reform the h-BN’s hexagonal structure, which involves defects or grain boundaries (GBs) engineering in the basal plane. The other way is to invite foreign atoms, such as carbon, to forge bizarre hybrid structures like hetero-junctions or semiconducting h-BNC materials. Here we successfully developed a general chemical method to synthesize these different h-BN derivatives, showcasing how the chemical structure can be manipulated with or without a graphene precursor, and the bandgap be tuned to ~2 eV, only one third of the pristine one’s. PMID:28367992

Capacitance of graphenes

NASA Astrophysics Data System (ADS)

Young, Andrea; Dean, Cory; Meric, Inanc; Hone, Jim; Shepard, Ken; Kim, Philip

2010-03-01

Using a transfer procedure and single crystal hexagonal Boron Nitride gate dielectric, we are able to fabricate high mobility graphene devices with local top and back gates. The novel geometry of these devices allows us to measure the spatially averaged compressibility of mono- and bilayer graphene using the ``penetration field'' technique [Eisenstein, J.P. et al. Phys. Rev. Lett. 68, 674 (1992)]. In particular, we analyze the the effects of strong transverse electric fields on the compressibility of graphenes, especially as pertains to charged impurity scattering in single layer graphene and the opening of an energy gap in bilayer.

Disorder from the Bulk Ionic Liquid in Electric Double Layer Transistors

DOE PAGES

Petach, Trevor A.; Reich, Konstantin V.; Zhang, Xiao; ...

2017-07-28

Ionic liquid gating has a number of advantages over solid-state gating, especially for flexible or transparent devices and for applications requiring high carrier densities. But, the large number of charged ions near the channel inevitably results in Coulomb scattering, which limits the carrier mobility in otherwise clean systems. We develop a model for this Coulomb scattering. We then validate our model experimentally using ionic liquid gating of graphene across varying thicknesses of hexagonal boron nitride, demonstrating that disorder in the bulk ionic liquid often dominates the scattering.

Pulsed laser vaporization synthesis of boron loaded few layered graphene (Conference Presentation)

NASA Astrophysics Data System (ADS)

Tennyson, Wesley D.; Tian, Mengkun; More, Karren L.; Geohegan, David B.; Puretzky, Alexander A.; Papandrew, Alexander B.; Rouleau, Christopher M.; Yoon, Mina

2017-02-01

The bulk production of loose graphene flakes and its doped variants are important for energy applications including batteries, fuel cells, and supercapacitors as well as optoelectronic and thermal applications. While laser-based methods have been reported for large-scale synthesis of single-wall carbon nanohorns (SWNHs), similar large-scale production of graphene has not been reported. Here we explored the synthesis of doped few layered graphene by pulsed laser vaporization (PLV) with the goal of producing an oxidation resistant electrode support for solid acid fuel cells. PLV of graphite with various amounts of boron was carried out in mixtures in either Ar or Ar/H2 at 0.1 MPa at elevated temperatures under conditions typically used for synthesis of SWNHs. Both the addition of hydrogen to the background argon, or the addition of boron to the carbon target, was found to shift the formation of carbon nanohorns to two-dimensional flakes of a new form of few-layer graphene material, with sizes up to microns in dimension as confirmed by XRD and TEM. However, the materials made with boron exhibited superior resistance to carbon corrosion in the solid acid fuel cell and thermal oxidation resistance in air compared to similar product made without boron. Mechanisms for the synthesis and oxidation resistance of these materials will be discussed based upon detailed characterization and modeling. •Synthesis science was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division. Material processing and characterization science supported by ARPA-E under Cooperative Agreement Number DE-AR0000499 and as a user project at the Center for Nanophase Materials Sciences, a Department of Energy Office of Science User Facility.

Shear-Assisted Production of Few-Layer Boron Nitride Nanosheets by Supercritical CO2 Exfoliation and Its Use for Thermally Conductive Epoxy Composites.

PubMed

Tian, Xiaojuan; Li, Yun; Chen, Zhuo; Li, Qi; Hou, Liqiang; Wu, Jiaye; Tang, Yushu; Li, Yongfeng

2017-12-19

Boron nitride nanosheets (BNNS) hold the similar two-dimensional structure as graphene and unique properties complementary to graphene, which makes it attractive in application ranging from electronics to energy storage. The exfoliation of boron nitride (BN) still remains challenge and hinders the applications of BNNS. In this work, the preparation of BNNS has been realized by a shear-assisted supercritical CO 2 exfoliation process, during which supercritical CO 2 intercalates and diffuses between boron nitride layers, and then the exfoliation of BN layers is obtained in the rapid depressurization process by overcoming the van der Waals forces. Our results indicate that the bulk boron nitride has been successfully exfoliated into thin nanosheets with an average 6 layers. It is found that the produced BNNS is well-dispersed in isopropyl alcohol (IPA) with a higher extinction coefficient compared with the bulk BN. Moreover, the BNNS/epoxy composite used as thermal interface materials has been prepared. The introduction of BNNS results in a 313% enhancement in thermal conductivity. Our results demonstrate that BNNS produced by supercritical CO 2 exfoliation show great potential applications for heat dissipation of high efficiency electronics.

A simple method to synthesize polyhedral hexagonal boron nitride nanofibers

NASA Astrophysics Data System (ADS)

Lin, Liang-xu; Zheng, Ying; Li, Zhao-hui; shen, Xiao-nv; Wei, Ke-mei

2007-12-01

Hexagonal boron nitride (h-BN) fibers with polyhedral morphology were synthesized with a simple-operational, large-scale and low-cost method. The sample obtained was studied by X-ray photoelectron spectrometer (XPS), electron energy lose spectroscopy (EELS), X-ray powder diffraction (XRD), Fourier transformation infrared spectroscopy (FT-IR), etc., which matched with h-BN. Environment scanning electron microscopy (ESEM) and transmission electron microscope (TEM) indicated that the BN fibers possess polyhedral morphology. The diameter of the BN fibers is mainly in the range of 100-500 nm.

Methods of forming boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trowbridge, Tammy L; Wertsching, Alan K; Pinhero, Patrick J

A method of forming a boron nitride. The method comprises contacting a metal article with a monomeric boron-nitrogen compound and converting the monomeric boron-nitrogen compound to a boron nitride. The boron nitride is formed on the same or a different metal article. The monomeric boron-nitrogen compound is borazine, cycloborazane, trimethylcycloborazane, polyborazylene, B-vinylborazine, poly(B-vinylborazine), or combinations thereof. The monomeric boron-nitrogen compound is polymerized to form the boron nitride by exposure to a temperature greater than approximately 100.degree. C. The boron nitride is amorphous boron nitride, hexagonal boron nitride, rhombohedral boron nitride, turbostratic boron nitride, wurzite boron nitride, combinations thereof, or boronmore » nitride and carbon. A method of conditioning a ballistic weapon and a metal article coated with the monomeric boron-nitrogen compound are also disclosed.« less

Mid-infrared polaritonic coupling between boron nitride nanotubes and graphene.

PubMed

Xu, Xiaoji G; Jiang, Jian-Hua; Gilburd, Leonid; Rensing, Rachel G; Burch, Kenneth S; Zhi, Chunyi; Bando, Yoshio; Golberg, Dmitri; Walker, Gilbert C

2014-11-25

Boron nitride (BN) is considered to be a promising substrate for graphene-based devices in part because its large band gap can serve to insulate graphene in layered heterostructures. At mid-infrared frequencies, graphene supports surface plasmon polaritons (SPPs), whereas hexagonal-BN (h-BN) is found to support surface phonon polaritons (SPhPs). We report on the observation of infrared polaritonic coupling between graphene SPPs and boron nitride nanotube (BNNT) SPhPs. Infrared scattering type scanning near-field optical microscopy is used to obtain spatial distribution of the two types of polaritons at the nanoscale. The observation suggests that those polaritons interact at the nanoscale in a one-dimensional/two-dimensional (1D/2D) geometry, exchanging energy in a nonplanar configuration at the nanoscale. Control of the polaritonic interaction is achieved by adjustment of the graphene Fermi level through voltage gating. Our observation suggests that boron nitride nanotubes and graphene can interact at mid-infrared frequencies and coherently exchange their energies at the nanoscale through the overlap of mutual electric near field of surface phonon polaritons and surface plasmon polaritons. Such interaction enables the design of nano-optical devices based on BNNT-graphene polaritonics in the mid-infrared range.

Review—hexagonal boron nitride epilayers: Growth, optical properties and device applications

DOE PAGES

Jiang, H. X.; Lin, Jing Yu

2016-09-07

This paper provides a brief overview on recent advances made in authors’ laboratory in epitaxial growth and optical studies of hexagonal boron nitride (h-BN) epilayers and heterostructures. Photoluminescence spectroscopy has been employed to probe the optical properties of h-BN. It was observed that the near band edge emission of h-BN is unusually high and is more than two orders of magnitude higher than that of high quality AlN epilayers. It was shown that the unique quasi-2D nature induced by the layered structure of h-BN results in high optical absorption and emission. The impurity related and near band-edge transitions in h-BNmore » epilayers were probed for materials synthesized under varying ammonia flow rates. Our results have identified that the most dominant impurities and deep level defects in h-BN epilayers are related to nitrogen vacancies. By growing h-BN under high ammonia flow rates, nitrogen vacancy related defects can be eliminated and epilayers exhibiting pure free exciton emission have been obtained. Deep UV and thermal neutron detectors based on h-BN epilayers were shown to possess unique features. Lastly, it is our belief that h-BN will lead to many potential applications from deep UV emitters and detectors, radiation detectors, to novel 2D photonic and electronic devices.« less

Review—hexagonal boron nitride epilayers: Growth, optical properties and device applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, H. X.; Lin, Jing Yu

This paper provides a brief overview on recent advances made in authors’ laboratory in epitaxial growth and optical studies of hexagonal boron nitride (h-BN) epilayers and heterostructures. Photoluminescence spectroscopy has been employed to probe the optical properties of h-BN. It was observed that the near band edge emission of h-BN is unusually high and is more than two orders of magnitude higher than that of high quality AlN epilayers. It was shown that the unique quasi-2D nature induced by the layered structure of h-BN results in high optical absorption and emission. The impurity related and near band-edge transitions in h-BNmore » epilayers were probed for materials synthesized under varying ammonia flow rates. Our results have identified that the most dominant impurities and deep level defects in h-BN epilayers are related to nitrogen vacancies. By growing h-BN under high ammonia flow rates, nitrogen vacancy related defects can be eliminated and epilayers exhibiting pure free exciton emission have been obtained. Deep UV and thermal neutron detectors based on h-BN epilayers were shown to possess unique features. Lastly, it is our belief that h-BN will lead to many potential applications from deep UV emitters and detectors, radiation detectors, to novel 2D photonic and electronic devices.« less

Atomic-scale etching of hexagonal boron nitride for device integration based on two-dimensional materials.

PubMed

Park, Hamin; Shin, Gwang Hyuk; Lee, Khang June; Choi, Sung-Yool

2018-05-29

Hexagonal boron nitride (h-BN) is considered an ideal template for electronics based on two-dimensional (2D) materials, owing to its unique properties as a dielectric film. Most studies involving h-BN and its application to electronics have focused on its synthesis using techniques such as chemical vapor deposition, the electrical analysis of its surface state, and the evaluation of its performance. Meanwhile, processing techniques including etching methods have not been widely studied despite their necessity for device fabrication processes. In this study, we propose the atomic-scale etching of h-BN for integration into devices based on 2D materials, using Ar plasma at room temperature. A controllable etching rate, less than 1 nm min-1, was achieved and the low reactivity of the Ar plasma enabled the atomic-scale etching of h-BN down to a monolayer in this top-down approach. Based on the h-BN etching technique for achieving electrical contact with the underlying molybdenum disulfide (MoS2) layer of an h-BN/MoS2 heterostructure, a top-gate MoS2 field-effect transistor (FET) with h-BN gate dielectric was fabricated and characterized by high electrical performance based on the on/off current ratio and carrier mobility.

Highly Stable, Dual-Gated MoS2 Transistors Encapsulated by Hexagonal Boron Nitride with Gate-Controllable Contact, Resistance, and Threshold Voltage.

PubMed

Lee, Gwan-Hyoung; Cui, Xu; Kim, Young Duck; Arefe, Ghidewon; Zhang, Xian; Lee, Chul-Ho; Ye, Fan; Watanabe, Kenji; Taniguchi, Takashi; Kim, Philip; Hone, James

2015-07-28

Emerging two-dimensional (2D) semiconductors such as molybdenum disulfide (MoS2) have been intensively studied because of their novel properties for advanced electronics and optoelectronics. However, 2D materials are by nature sensitive to environmental influences, such as temperature, humidity, adsorbates, and trapped charges in neighboring dielectrics. Therefore, it is crucial to develop device architectures that provide both high performance and long-term stability. Here we report high performance of dual-gated van der Waals (vdW) heterostructure devices in which MoS2 layers are fully encapsulated by hexagonal boron nitride (hBN) and contacts are formed using graphene. The hBN-encapsulation provides excellent protection from environmental factors, resulting in highly stable device performance, even at elevated temperatures. Our measurements also reveal high-quality electrical contacts and reduced hysteresis, leading to high two-terminal carrier mobility (33-151 cm(2) V(-1) s(-1)) and low subthreshold swing (80 mV/dec) at room temperature. Furthermore, adjustment of graphene Fermi level and use of dual gates enable us to separately control contact resistance and threshold voltage. This novel vdW heterostructure device opens up a new way toward fabrication of stable, high-performance devices based on 2D materials.

Hexagonal Boron Nitride: A Promising Substrate for Graphene with High Heat Dissipation

NASA Astrophysics Data System (ADS)

Zhang, Zhongwei; Hu, Shiqian; Chen, Jie; Li, Baowen

Supported graphene on standard SiO2 substrate exhibits unsatisfactory heat dissipation performance that is far inferior to the ultrahigh thermal conductivity of suspended case. A suitable substrate for enhancing the thermal transport in supported graphene is highly desirable. By using molecular dynamics simulations, we have studied thermal conductivity of sing-layer graphene (SLG) supported on bulk hexagonal boron nitride (h-BN) substrate. Notable length dependence and high thermal conductivity are observed in h-BN supported SLG, suggesting thermal transport properties are close to that in suspended SLG. At room temperature, thermal conductivity of h-BN supported SLG is as high as 1347.3+/-20.5 W/mK, which is about 77% of suspended case and more than twice of SiO2 supported SLG. Furthermore, the h-BN substrate gives rise to a regular and weak stress distribution in graphene, which results in less suppressed phonon relaxation time and phonon mean free path. We also find stacking and rotation have significant impacts on structure dynamics and thermal conductivity of h-BN supported graphene. Our study provides valuable insights towards the design of realistic supported graphene devices with high performance heat dissipation. Acknowledges the supports from the National Natural Science Foundation of China (Grant No. 51506153 and No. 11334007) and the National Youth 1000 Talents Program in China.

Boron nitride solid state neutron detector

DOEpatents

Doty, F. Patrick

2004-04-27

The present invention describes an apparatus useful for detecting neutrons, and particularly for detecting thermal neutrons, while remaining insensitive to gamma radiation. Neutrons are detected by direct measurement of current pulses produced by an interaction of the neutrons with hexagonal pyrolytic boron nitride.

Characterization and manipulation of individual defects in insulating hexagonal boron nitride using scanning tunnelling microscopy.

PubMed

Wong, Dillon; Velasco, Jairo; Ju, Long; Lee, Juwon; Kahn, Salman; Tsai, Hsin-Zon; Germany, Chad; Taniguchi, Takashi; Watanabe, Kenji; Zettl, Alex; Wang, Feng; Crommie, Michael F

2015-11-01

Defects play a key role in determining the properties and technological applications of nanoscale materials and, because they tend to be highly localized, characterizing them at the single-defect level is of particular importance. Scanning tunnelling microscopy has long been used to image the electronic structure of individual point defects in conductors, semiconductors and ultrathin films, but such single-defect electronic characterization remains an elusive goal for intrinsic bulk insulators. Here, we show that individual native defects in an intrinsic bulk hexagonal boron nitride insulator can be characterized and manipulated using a scanning tunnelling microscope. This would typically be impossible due to the lack of a conducting drain path for electrical current. We overcome this problem by using a graphene/boron nitride heterostructure, which exploits the atomically thin nature of graphene to allow the visualization of defect phenomena in the underlying bulk boron nitride. We observe three different defect structures that we attribute to defects within the bulk insulating boron nitride. Using scanning tunnelling spectroscopy we obtain charge and energy-level information for these boron nitride defect structures. We also show that it is possible to manipulate the defects through voltage pulses applied to the scanning tunnelling microscope tip.

Ultra-sensitive Hall sensors based on graphene encapsulated in hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dauber, Jan; Stampfer, Christoph; Peter Grünberg Institute

2015-05-11

The encapsulation of graphene in hexagonal boron nitride provides graphene on substrate with excellent material quality. Here, we present the fabrication and characterization of Hall sensor elements based on graphene boron nitride heterostructures, where we gain from high mobility and low charge carrier density at room temperature. We show a detailed device characterization including Hall effect measurements under vacuum and ambient conditions. We achieve a current- and voltage-related sensitivity of up to 5700 V/AT and 3 V/VT, respectively, outpacing state-of-the-art silicon and III/V Hall sensor devices. Finally, we extract a magnetic resolution limited by low frequency electric noise of less than 50more » nT/√(Hz) making our graphene sensors highly interesting for industrial applications.« less

Origin of band gaps in graphene on hexagonal boron nitride

PubMed Central

Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.; Adam, Shaffique

2015-01-01

Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene’s carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy π-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions. PMID:25695638

Determination of the optical band-gap energy of cubic and hexagonal boron nitride using luminescence excitation spectroscopy

NASA Astrophysics Data System (ADS)

Evans, D. A.; McGlynn, A. G.; Towlson, B. M.; Gunn, M.; Jones, D.; Jenkins, T. E.; Winter, R.; Poolton, N. R. J.

2008-02-01

Using synchrotron-based luminescence excitation spectroscopy in the energy range 4-20 eV at 8 K, the indirect Γ-X optical band-gap transition in cubic boron nitride is determined as 6.36 ± 0.03 eV, and the quasi-direct band-gap energy of hexagonal boron nitride is determined as 5.96 ± 0.04 eV. The composition and structure of the materials are self-consistently established by optically detected x-ray absorption spectroscopy, and both x-ray diffraction and Raman measurements on the same samples give independent confirmation of their chemical and structural purity: together, the results are therefore considered as providing definitive measurements of the optical band-gap energies of the two materials.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes

NASA Astrophysics Data System (ADS)

O'Brien, S. A.; Harvey, A.; Griffin, A.; Donnelly, T.; Mulcahy, D.; Coleman, J. N.; Donegan, J. F.; McCloskey, D.

2017-11-01

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter—the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes.

PubMed

O'Brien, S A; Harvey, A; Griffin, A; Donnelly, T; Mulcahy, D; Coleman, J N; Donegan, J F; McCloskey, D

2017-11-24

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter-the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Single photon emission from plasma treated 2D hexagonal boron nitride.

PubMed

Xu, Zai-Quan; Elbadawi, Christopher; Tran, Toan Trong; Kianinia, Mehran; Li, Xiuling; Liu, Daobin; Hoffman, Timothy B; Nguyen, Minh; Kim, Sejeong; Edgar, James H; Wu, Xiaojun; Song, Li; Ali, Sajid; Ford, Mike; Toth, Milos; Aharonovich, Igor

2018-05-03

Artificial atomic systems in solids are becoming increasingly important building blocks in quantum information processing and scalable quantum nanophotonic networks. Amongst numerous candidates, 2D hexagonal boron nitride has recently emerged as a promising platform hosting single photon emitters. Here, we report a number of robust plasma and thermal annealing methods for fabrication of emitters in tape-exfoliated hexagonal boron nitride (hBN) crystals. A two-step process comprising Ar plasma etching and subsequent annealing in Ar is highly robust, and yields an eight-fold increase in the concentration of emitters in hBN. The initial plasma-etching step generates emitters that suffer from blinking and bleaching, whereas the two-step process yields emitters that are photostable at room temperature with emission wavelengths greater than ∼700 nm. Density functional theory modeling suggests that the emitters might be associated with defect complexes that contain oxygen. This is further confirmed by generating the emitters via annealing hBN in air. Our findings advance the present understanding of the structure of quantum emitters in hBN and enhance the nanofabrication toolkit needed to realize integrated quantum nanophotonic circuits.

Initial stages of growth and the influence of temperature during chemical vapor deposition of sp{sup 2}-BN films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chubarov, Mikhail; Pedersen, Henrik; Högberg, Hans

2015-11-15

Knowledge of the structural evolution of thin films, starting by the initial stages of growth, is important to control the quality and properties of the film. The authors present a study on the initial stages of growth and the temperature influence on the structural evolution of sp{sup 2} hybridized boron nitride (BN) thin films during chemical vapor deposition (CVD) with triethyl boron and ammonia as precursors. Nucleation of hexagonal BN (h-BN) occurs at 1200 °C on α-Al{sub 2}O{sub 3} with an AlN buffer layer (AlN/α-Al{sub 2}O{sub 3}). At 1500 °C, h-BN grows with a layer-by-layer growth mode on AlN/α-Al{sub 2}O{sub 3} upmore » to ∼4 nm after which the film structure changes to rhombohedral BN (r-BN). Then, r-BN growth proceeds with a mixed layer-by-layer and island growth mode. h-BN does not grow on 6H-SiC substrates; instead, r-BN nucleates and grows directly with a mixed layer-by-layer and island growth mode. These differences may be caused by differences in substrate surface temperature due to different thermal conductivities of the substrate materials. These results add to the understanding of the growth process of sp{sup 2}-BN employing CVD.« less

Boron nitride - Composition, optical properties, and mechanical behavior

NASA Technical Reports Server (NTRS)

Pouch, John J.; Alterovitz, Samuel A.; Miyoshi, Kazuhisa; Warner, Joseph D.

1987-01-01

A low energy ion beam deposition technique was used to grow boron nitride films on quartz, germanium, silicon, gallium arsenide, and indium phosphate. The film structure was amorphous with evidence of a hexagonal phase. The peak boron concentration was 82 at. percent. The carbon and oxygen impurities were in the 5 to 8 at. percent range. Boron-nitrogen and boron-boron bonds were revealed by X-ray photoelectron spectroscopy. The index of refraction varied from 1.65 to 1.67 for films deposited on III-V compound semiconductors. The coefficient of friction for boron nitride in sliding contact with diamond was less than 0.1. The substrate was silicon.

Boron nitride: Composition, optical properties and mechanical behavior

NASA Technical Reports Server (NTRS)

Pouch, John J.; Alterovitz, Samuel A.; Miyoshi, Kazuhisa; Warner, Joseph D.

1987-01-01

A low energy ion beam deposition technique was used to grow boron nitride films on quartz, germanium, silicon, gallium arsenide, and indium phosphate. The film structure was amorphous with evidence of a hexagonal phase. The peak boron concentration was 82 at %. The carbon and oxygen impurities were in the 5 to 8 at % range. Boron-nitrogen and boron-boron bonds were revealed by X-ray photoelectron spectroscopy. The index of refraction varied from 1.65 to 1.67 for films deposited on III-V compound semiconductors. The coefficient of friction for boron nitride in sliding contact with diamond was less than 0.1. The substrate was silicon.

Graphene-hexagonal boron nitride resonant tunneling diodes as high-frequency oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaskell, J.; Fromhold, T. M.; Greenaway, M. T.

We assess the potential of two-terminal graphene-hexagonal boron nitride-graphene resonant tunneling diodes as high-frequency oscillators, using self-consistent quantum transport and electrostatic simulations to determine the time-dependent response of the diodes in a resonant circuit. We quantify how the frequency and power of the current oscillations depend on the diode and circuit parameters including the doping of the graphene electrodes, device geometry, alignment of the graphene lattices, and the circuit impedances. Our results indicate that current oscillations with frequencies of up to several hundred GHz should be achievable.

Wrinkled 2D Materials: A Versatile Platform for Low-Threshold Stretchable Random Lasers.

PubMed

Hu, Han-Wen; Haider, Golam; Liao, Yu-Ming; Roy, Pradip Kumar; Ravindranath, Rini; Chang, Huan-Tsung; Lu, Cheng-Hsin; Tseng, Chang-Yang; Lin, Tai-Yung; Shih, Wei-Heng; Chen, Yang-Fang

2017-11-01

A stretchable, flexible, and bendable random laser system capable of lasing in a wide range of spectrum will have many potential applications in next- generation technologies, such as visible-spectrum communication, superbright solid-state lighting, biomedical studies, fluorescence, etc. However, producing an appropriate cavity for such a wide spectral range remains a challenge owing to the rigidity of the resonator for the generation of coherent loops. 2D materials with wrinkled structures exhibit superior advantages of high stretchability and a suitable matrix for photon trapping in between the hill and valley geometries compared to their flat counterparts. Here, the intriguing functionalities of wrinkled reduced graphene oxide, single-layer graphene, and few-layer hexagonal boron nitride, respectively, are utilized to design highly stretchable and wearable random laser devices with ultralow threshold. Using methyl-ammonium lead bromide perovskite nanocrystals (PNC) to illustrate the working principle, the lasing threshold is found to be ≈10 µJ cm -2 , about two times less than the lowest value ever reported. In addition to PNC, it is demonstrated that the output lasing wavelength can be tuned using different active materials such as semiconductor quantum dots. Thus, this study is very useful for the future development of high-performance wearable optoelectronic devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Novel 3D metallic boron nitride containing only sp2 bonds

NASA Astrophysics Data System (ADS)

Wang, Hao; Zhang, Wei; Huai, Ping

2017-09-01

As the closest isoelectronic analogue of carbon, boron nitride (BN) shares a similar structure with carbon from 1D nanotubes, 2D nanosheets, and 3D diamond structures. However, most BN structures are insulators, which limits their application. In this work, under the inspiration of the sp2 hybridized carbon honeycomb, we propose a hexagonal phase of BN consisting of only sp2 bonds, which exhibits intriguingly intrinsic metallicity. First-principles calculations confirm that this phase is both thermally and dynamically stable. Moreover, the calculations on the band structure, partial density states and electron localization function suggest that the metallic behavior is attributable to the delocalized B-2p electrons, leading to second-neighbor interaction between the p z states of sp2-bonded B atoms in adjacent layers. Our findings not only enrich the BN allotrope family with 3D structures but also stimulate further experimental interest in applications of metallic BN in electronic devices.

Secondary electron imaging of monolayer materials inside a transmission electron microscope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cretu, Ovidiu, E-mail: cretu.ovidiu@nims.go.jp; Lin, Yung-Chang; Suenaga, Kazutomo

2015-08-10

A scanning transmission electron microscope equipped with a backscattered and secondary electron detector is shown capable to image graphene and hexagonal boron nitride monolayers. Secondary electron contrasts of the two lightest monolayer materials are clearly distinguished from the vacuum level. A signal difference between these two materials is attributed to electronic structure differences, which will influence the escape probabilities of the secondary electrons. Our results show that the secondary electron signal can be used to distinguish between the electronic structures of materials with atomic layer sensitivity, enhancing its applicability as a complementary signal in the analytical microscope.

The interface between ferroelectric and 2D material for a Ferroelectric Field-Effect Transistor

NASA Astrophysics Data System (ADS)

Park, Nahee; Kang, Haeyong; Lee, Sang-Goo; Lee, Young Hee; Suh, Dongseok

We have studied electrical property of ferroelectric field-effect transistor which consists of graphene on hexagonal Boron-Nitride (h-BN) gated by a ferroelectric, PMN-PT (i.e. (1-x)Pb(Mg1/3Nb2/3) O3-xPbTiO3) single-crystal substrate. The PMN-PT was expected to have an effect on polarization field into the graphene channel and to induce a giant amount of surface charge. The hexagonal Boron-Nitride (h-BN) flake was directly exfoliated on the PMN-PT substrate for preventing graphene from directly contacting on the PMN-PT substrate. It can make us to observe the effect of the interface between ferroelectric and 2D material on the device operation. Monolayer graphene as 2D channel material, which was confirmed by Raman spectroscopy, was transferred on top of the hexagonal Boron-Nitride (h-BN) by using the conventional dry-transfer method. Here, we can demonstrate that the structure of graphene/hexagonal-BN/ferroelectric field-effect transistor makes us to clearly understand the device operation as well as the interface between ferroelectric and 2D materials by inserting h-BN between them. The phenomena such as anti-hysteresis, current saturation behavior, and hump-like increase of channel current, will be discussed by in terms of ferroelectric switching, polarization-assisted charge trapping.

Gas sensing in 2D materials

NASA Astrophysics Data System (ADS)

Yang, Shengxue; Jiang, Chengbao; Wei, Su-huai

2017-06-01

Two-dimensional (2D) layered inorganic nanomaterials have attracted huge attention due to their unique electronic structures, as well as extraordinary physical and chemical properties for use in electronics, optoelectronics, spintronics, catalysts, energy generation and storage, and chemical sensors. Graphene and related layered inorganic analogues have shown great potential for gas-sensing applications because of their large specific surface areas and strong surface activities. This review aims to discuss the latest advancements in the 2D layered inorganic materials for gas sensors. We first elaborate the gas-sensing mechanisms and introduce various types of gas-sensing devices. Then, we describe the basic parameters and influence factors of the gas sensors to further enhance their performance. Moreover, we systematically present the current gas-sensing applications based on graphene, graphene oxide (GO), reduced graphene oxide (rGO), functionalized GO or rGO, transition metal dichalcogenides, layered III-VI semiconductors, layered metal oxides, phosphorene, hexagonal boron nitride, etc. Finally, we conclude the future prospects of these layered inorganic materials in gas-sensing applications.

Chemical reaction of hexagonal boron nitride and graphite nanoclusters in mechanical milling systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muramatsu, Y.; Grush, M.; Callcott, T.A.

1997-04-01

Synthesis of boron-carbon-nitride (BCN) hybrid alloys has been attempted extensively by many researchers because the BCN alloys are considered an extremely hard material called {open_quotes}super diamond,{close_quotes} and the industrial application for wear-resistant materials is promising. A mechanical alloying (MA) method of hexagonal boron nitride (h-BN) with graphite has recently been studied to explore the industrial synthesis of the BCN alloys. To develop the MA method for the BCN alloy synthesis, it is necessary to confirm the chemical reaction processes in the mechanical milling systems and to identify the reaction products. Therefore, the authors have attempted to confirm the chemical reactionmore » process of the h-BN and graphite in mechanical milling systems using x-ray absorption near edge structure (XANES) methods.« less

The influence of metal Mg on micro-morphology and crystallinity of spherical hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Ning, E-mail: zhangning5832@163.com; Liu, Huan; Kan, Hongmin

2015-08-15

Highlights: • The action mechanism of Mg to the synthesis of spherical BN was explored. • The influence of Mg content on the crystallinity of h-BN powders was studied. • Even if not added any template, the spherical h-BN could be prepared. - Abstract: This search used the boric acid and borax as a source of boron, urea as a nitrogen source, Mg as metal catalyst, and thus prepared different micro-morphology and crystallinity hexagonal boron nitride powders under a flowing ammonia atmosphere at a nitriding temperature of 750 °C. The effect of Mg content on the crystallinity and micro-morphology ofmore » hexagonal boron nitride powders was studied, and the Mg action mechanism was explored. Without the added surfactant, the graphitization index (GI) was 6.87, and the diameter of the spherical h-BN was bigger. When the added Mg were 0.1 g, 0.3 g, 0.5 g and 0.7 g, the (GI) decreased to 6.04, 5.67, 4.62 and 4.84, respectively. When the Mg content was higher (0.9 g), GI value increased rapidly, and the crystallinity became bad. When the Mg content was 0.5 g, the dispersion of h-BN powders was at its optimum and refinement apparently, and the crystallinity at its highest.« less

Superconducting and normal-state properties of the layered boride OsB2

NASA Astrophysics Data System (ADS)

Singh, Yogesh; Niazi, A.; Vannette, M. D.; Prozorov, R.; Johnston, D. C.

2007-12-01

OsB2 crystallizes in an orthorhombic structure (Pmmn) which contains alternate boron and osmium layers stacked along the c axis. The boron layers consist of puckered hexagons as opposed to the flat graphite-like boron layers in MgB2 . OsB2 is reported to become superconducting below 2.1K . We report results of the dynamic and static magnetic susceptibilities, electrical resistivity, Hall effect, heat capacity, and penetration depth measurements on arc-melted polycrystalline samples of OsB2 to characterize its superconducting and normal-state properties. These measurements confirmed that OsB2 becomes a bulk superconductor below Tc=2.1K . Our results indicate that OsB2 is a moderate-coupling type-II superconductor with an electron-phonon coupling constant λep≈0.4-0.5 , a small Ginzburg-Landau parameter κ˜1-2 , and an upper critical magnetic field Hc2(0.5K)˜420Oe for an unannealed sample and Hc2(1K)˜330Oe for an annealed sample. The temperature dependence of the superfluid density ns(T) for the unannealed sample is consistent with an s -wave superconductor with a slightly enhanced zero temperature gap Δ(0)=1.9kBTc and a zero temperature London penetration depth λ(0)=0.38(2)μm . The ns(T) data for the annealed sample show deviations from the predictions of the single-band s -wave BCS model. The magnetic, transport, and thermal properties in the normal state of isostructural and isoelectronic RuB2 , which is reported to become superconducting below 1.6K , are also reported.

Low pressure growth of cubic boron nitride films

NASA Technical Reports Server (NTRS)

Ong, Tiong P. (Inventor); Shing, Yuh-Han (Inventor)

1997-01-01

A method for forming thin films of cubic boron nitride on substrates at low pressures and temperatures. A substrate is first coated with polycrystalline diamond to provide a uniform surface upon which cubic boron nitride can be deposited by chemical vapor deposition. The cubic boron nitride film is useful as a substitute for diamond coatings for a variety of applications in which diamond is not suitable. any tetragonal or hexagonal boron nitride. The cubic boron nitride produced in accordance with the preceding example is particularly well-suited for use as a coating for ultra hard tool bits and abrasives, especially those intended to use in cutting or otherwise fabricating iron.

Inexpensive Method for Coating the Interior of Silica Growth Ampoules with Pyrolytic Boron Nitride

NASA Technical Reports Server (NTRS)

Wang, Jianbin; Regel, Liya L.; Wilcox, William R.

2003-01-01

An inexpensive method was developed for coating the interior of silica ampoules with hexagonal boron nitride. An aqueous solution of boric acid was used to coat the ampoule prior to drying in a vacuum at 200 C. This coating was converted to transparent boron nitride by heating in ammonia at 1000 C. Coated ampoules were used to achieve detached solidification of indium antimonide on earth.

Thermodynamic consideration and ground-state search of icosahedral boron subselenide B12(B1-xSex) 2 from a first-principles cluster expansion

NASA Astrophysics Data System (ADS)

Ektarawong, A.

2018-05-01

The phase stability of icosahedral boron subselenide B12(B1-xSex) 2 , where 0.5 ≤x ≤1 , is explored using a first-principles cluster expansion. The results shows that, instead of a continuous solid solution, B12(B1-xSex) 2 is thermodynamically stable as an individual line compound at the composition of B9.5Se . The ground-state configuration of B9.5Se is represented by a mixture of B12(Se-Se), B12(B-Se), and B12(Se-B) with a ratio of 1:1:1, where they form a periodic A B C A B C ⋯ stacking sequence of B12(Se-Se), B12(B-Se), and B12(Se-B) layers along the c axis of the hexagonal conventional unit cell. The structural and electronic properties of the ground-state B9.5Se are also derived and discussed. By comparing the derived ground-state properties of B9.5Se to the existing experimental data of boron subselenide B˜13Se , I proposed that the as-synthesized boron subselenide B˜13Se , as reported in the literature, has the actual composition of B9.5Se .

High temperature thermal management with boron nitride nanosheets.

PubMed

Wang, Yilin; Xu, Lisha; Yang, Zhi; Xie, Hua; Jiang, Puqing; Dai, Jiaqi; Luo, Wei; Yao, Yonggang; Hitz, Emily; Yang, Ronggui; Yang, Bao; Hu, Liangbing

2017-12-21

The rapid development of high power density devices requires more efficient heat dissipation. Recently, two-dimensional layered materials have attracted significant interest due to their superior thermal conductivity, ease of production and chemical stability. Among them, hexagonal boron nitride (h-BN) is electrically insulating, making it a promising thermal management material for next-generation electronics. In this work, we demonstrated that an h-BN thin film composed of layer-by-layer laminated h-BN nanosheets can effectively enhance the lateral heat dissipation on the substrate. We found that by using the BN-coated glass instead of bare glass as the substrate, the highest operating temperature of a reduced graphene oxide (RGO) based device could increase from 700 °C to 1000 °C, and at the same input power, the operating temperature of the RGO device is effectively decreased. The remarkable performance improvement using the BN coating originates from its anisotropic thermal conductivity: a high in-plane thermal conductivity of 14 W m -1 K -1 for spreading and a low cross-plane thermal conductivity of 0.4 W m -1 K -1 to avoid a hot spot right underneath the device. Our results provide an effective approach to improve the heat dissipation in integrated circuits and high power devices.

Search for giant magnetic anisotropy in transition-metal dimers on defected hexagonal boron nitride sheet

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J.; Wang, H.; Wu, R. Q., E-mail: wur@uci.edu

2016-05-28

Structural and magnetic properties of many transition-metal dimers embedded in a defected hexagonal boron nitride monolayer are investigated through density functional calculations to search for systems with magnetic anisotropy energies (MAEs) larger than 30meV. In particular, Ir–Ir@Dh–BN is found to have both large MAE (∼126 meV) and high structural stability against dissociation and diffusion, and it hence can serve as magnetic unit in spintronics and quantum computing devices. This giant MAE mainly results from the spin orbit coupling and the magnetization of the upper Ir atom, which is in a rather isolated environment.

Electron paramagnetic resonance of deep boron in silicon carbide

NASA Astrophysics Data System (ADS)

Baranov, P. G.; Mokhov, E. N.

1996-04-01

In this article we report the first EPR observation of deep boron centres in silicon carbide. A direct identification of the boron atom involved in the defect centre, considered as deep boron, has been established by the presence of a hyperfine interaction with 0268-1242/11/4/005/img1 and 0268-1242/11/4/005/img2 nuclei in isotope-enriched 6H-SiC:B crystals. Deep boron centres were shown from EPR spectra to have axial symmetry along the hexagonal axis. A correspondence between the EPR spectra and the luminescence, ODMR and DLTS spectra of deep boron centres has been indicated. The structural model for a deep boron centre as a boron - vacancy pair is presented and the evidence for bistable behaviour of deep boron centres is discussed.

Chemical Vapor-Deposited Hexagonal Boron Nitride as a Scalable Template for High-Performance Organic Field-Effect Transistors

DOE PAGES

Lee, Tae Hoon; Kim, Kwanpyo; Kim, Gwangwoo; ...

2017-02-27

Organic field-effect transistors have attracted much attention because of their potential use in low-cost, large-area, flexible electronics. High-performance organic transistors require a low density of grain boundaries in their organic films and a decrease in the charge trap density at the semiconductor–dielectric interface for efficient charge transport. In this respect, the role of the dielectric material is crucial because it primarily determines the growth of the film and the interfacial trap density. Here, we demonstrate the use of chemical vapor-deposited hexagonal boron nitride (CVD h-BN) as a scalable growth template/dielectric for high-performance organic field-effect transistors. The field-effect transistors based onmore » C60 films grown on single-layer CVD h-BN exhibit an average mobility of 1.7 cm 2 V –1 s –1 and a maximal mobility of 2.9 cm 2 V –1 s –1 with on/off ratios of 10 7. The structural and morphology analysis shows that the epitaxial, two-dimensional growth of C 60 on CVD h-BN is mainly responsible for the superior charge transport behavior. In conclusion, we believe that CVD h-BN can serve as a growth template for various organic semiconductors, allowing the development of large-area, high-performance flexible electronics.« less

Chemical Vapor-Deposited Hexagonal Boron Nitride as a Scalable Template for High-Performance Organic Field-Effect Transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Tae Hoon; Kim, Kwanpyo; Kim, Gwangwoo

Organic field-effect transistors have attracted much attention because of their potential use in low-cost, large-area, flexible electronics. High-performance organic transistors require a low density of grain boundaries in their organic films and a decrease in the charge trap density at the semiconductor–dielectric interface for efficient charge transport. In this respect, the role of the dielectric material is crucial because it primarily determines the growth of the film and the interfacial trap density. Here, we demonstrate the use of chemical vapor-deposited hexagonal boron nitride (CVD h-BN) as a scalable growth template/dielectric for high-performance organic field-effect transistors. The field-effect transistors based onmore » C60 films grown on single-layer CVD h-BN exhibit an average mobility of 1.7 cm 2 V –1 s –1 and a maximal mobility of 2.9 cm 2 V –1 s –1 with on/off ratios of 10 7. The structural and morphology analysis shows that the epitaxial, two-dimensional growth of C 60 on CVD h-BN is mainly responsible for the superior charge transport behavior. In conclusion, we believe that CVD h-BN can serve as a growth template for various organic semiconductors, allowing the development of large-area, high-performance flexible electronics.« less

Pulsed laser deposition of single layer, hexagonal boron nitride (white graphene, h-BN) on fiber-oriented Ag(111)/SrTiO3(001)

NASA Astrophysics Data System (ADS)

Velázquez, Daniel; Seibert, Rachel; Man, Hamdi; Spentzouris, Linda; Terry, Jeff

2016-03-01

We report on the growth of 1-10 ML films of hexagonal boron nitride (h-BN), also known as white graphene, on fiber-oriented Ag buffer films on SrTiO3(001) by pulsed laser deposition. The Ag buffer films of 40 nm thickness were used as substitutes for expensive single crystal metallic substrates. In-situ, reflection high-energy electron diffraction was used to monitor the surface structure of the Ag films and to observe the formation of the characteristic h-BN diffraction pattern. Further evidence of the growth of h-BN was provided by attenuated total reflectance spectroscopy, which showed the characteristic h-BN peaks at ˜780 cm-1 and 1367.4 cm-1. Ex-situ photoelectron spectroscopy showed that the surface of the h-BN films is stoichiometric. The physical structure of the films was confirmed by scanning electron microscopy. The h-BN films grew as large, sub-millimeter sheets with nano- and micro-sheets scattered on the surface. The h-BN sheets can be exfoliated by the micromechanical adhesive tape method. Spectral analysis was performed by energy dispersive spectroscopy in order to identify the h-BN sheets after exfoliation. The use of thin film Ag allows for reduced use of Ag and makes it possible to adjust the surface morphology of the thin film prior to h-BN growth.

Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures

DOE PAGES

Li, An-Ping; Park, Jewook; Lee, Jaekwang; ...

2014-01-01

Two-dimensional (2D) interfaces between crystalline materials have been shown to generate unusual interfacial electronic states in complex oxides1-4. Recently, a onedimensional (1D) polar-on-nonpolar interface has been realized in hexagonal boron nitride (hBN) and graphene heterostructures 5-10, where a coherent 1D boundary is expected to possess peculiar electronic states dictated by edge states of graphene and the polarity of hBN 11-13. Here we present a combined scanning tunneling microscopy (STM) and firstprinciples theory study of the graphene-hBN boundary to provide a rare glimpse into the spatial and energetic distributions of the 1D boundary states in real-space. The interfaces studied here aremore » crystallographically coherent with sharp transitions from graphene zigzag edges to B (or N) terminated hBN atomic layers on a Cu foil substrate5. The revealed boundary states are about 0.6 eV below or above the Fermi energy depending on the termination of the hBN at the boundary, and are extended along but localized at the boundary with a lateral thickness of 2-3nm. These results suggest that unconventional physical effects similar to those observed at 2D interfaces can also exist in lower dimensions, opening a route for tuning of electronic properties at interfaces in 2D heterostructures.« less

Hexagonal boron nitride: a promising substrate for graphene with high heat dissipation

NASA Astrophysics Data System (ADS)

Zhang, Zhongwei; Hu, Shiqian; Chen, Jie; Li, Baowen

2017-06-01

Supported graphene on a standard SiO2 substrate exhibits unsatisfactory heat dissipation performance that is far inferior to the intrinsic ultrahigh thermal conductivity of a suspended sample. A suitable substrate for enhancing thermal transport in supported graphene is highly desirable for the development of graphene devices for thermal management. By using molecular dynamics simulations, here we demonstrate that bulk hexagonal boron nitride (h-BN) is a more appealing substrate to achieve high performance heat dissipation in supported graphene. Notable length dependence and high thermal conductivity are observed in h-BN-supported single-layer graphene (SLG), suggesting that the thermal transport characteristics are close to that of suspended SLG. At room temperature, the thermal conductivity of h-BN-supported SLG is as high as 1347.3 ± 20.5 Wm-1 K-1, which is about 77% of that for the suspended case, and is more than twice that of the SiO2-supported SLG. Furthermore, we find that the smooth and atomically flat h-BN substrate gives rise to a regular and weak stress distribution in graphene, resulting in a less affected phonon relaxation time and dominant phonon mean free path. We also find that stacking and rotation significantly impacts the thermal transport in h-BN-supported graphene. Our study provides valuable insights towards the design of graphene devices on realistic substrate for high performance heat dissipation applications.

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide.

PubMed

Chen, Xianping; Tan, Chunjian; Yang, Qun; Meng, Ruishen; Liang, Qiuhua; Jiang, Junke; Sun, Xiang; Yang, D Q; Ren, Tianling

2016-06-28

Development of nanoelectronics requires two-dimensional (2D) systems with both direct-bandgap and tunable electronic properties as they act in response to the external electric field (E-field). Here, we present a detailed theoretical investigation to predict the effect of atomic structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide (BP). We demonstrate that the splitting of bands and bandgap of BP depends on the number of layers and the stacking order. The values for the bandgap show a monotonically decreasing relationship with increasing layer number. We also show that AB-stacking BP has a direct-bandgap, while ABA-stacking BP has an indirect-bandgap when the number of layers n > 2. In addition, for a bilayer and a trilayer, the bandgap increases (decreases) as the electric field increases along the positive direction of the external electric field (E-field) (negative direction). In the case of four-layer BP, the bandgap exhibits a nonlinearly decreasing behavior as the increase in the electric field is independent of the electric field direction. The tunable mechanism of the bandgap can be attributed to a giant Stark effect. Interestingly, the investigation also shows that a semiconductor-to-metal transition may occur for the four-layer case or more layers beyond the critical electric field. Our findings may inspire more efforts in fabricating new nanoelectronics devices based on few-layer BP.

Optical properties of boron-group (V) hexagonal nanowires: DFT investigation

NASA Astrophysics Data System (ADS)

Santhibhushan, B.; Soni, Mahesh; Srivastava, Anurag

2017-07-01

The paper presents structural, electronic and optical properties of boron-group V hexagonal nanowires (h-NW) within the framework of density functional theory. The h-NW of boron-group V compounds with an analogous diameter of 12 Å have been designed in (1 1 1) plane. Stability analysis performed through formation energies reveal that, the stability of these structures decreases with increasing atomic number of the group V element. The band nature predicts that these nanowires are good electrical conductors. Optical behaviour of the nanowires has been analysed through absorption coefficient, reflectivity, refractive index, optical conductivity and electron energy loss spectrum (EELS), that are computed from the frequency-dependent complex dielectric function. The analysis reveals high reactivity of BP and BAs h-NWs to the incident light especially in the IR and visible ranges, and the optical transparency of BN h-NW in the visible and UV ranges.

Raman spectroscopy measurement of bilayer graphene's twist angle to boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Bin; Wang, Peng; Pan, Cheng

2015-07-20

When graphene is placed on hexagonal boron nitride with a twist angle, new properties develop due to the resulting moiré superlattice. Here, we report a method using Raman spectroscopy to make rapid, non-destructive measurements of the twist angle between bilayer graphene and hexagonal boron nitride. The lattice orientation is determined by using flakes with both bilayer and monolayer regions, and using the known Raman signature for the monolayer to measure the twist angle of the entire flake. The widths of the second order Raman peaks are found to vary linearly in the superlattice period and are used to determine themore » twist angle. The results are confirmed by using transport measurements to infer the superlattice period by the charge density required to reach the secondary resistance peaks. Small twist angles are also found to produce a significant modification of the first order Raman G band peak.« less

Synergic nitrogen source route to inorganic fullerene-like boron nitride with vessel, hollow sphere, onion, and peanut nanostructures.

PubMed

Xu, Fen; Xie, Yi; Zhang, Xu; Zhang, Shuyuan; Liu, Xianming; Tian, Xiaobo

2004-01-26

In this paper we describe the large-scale synthesis of inorganic fullerene-like (IF-like) hexagonal boron nitride with vessel, hollow sphere, peanut, and onion structures by reacting BBr(3) with the synergic nitrogen sources NaNH(2) and NH(4)Cl at 400-450 degrees C for 6-12 h. The composition of products could be confirmed to be pure boron nitride with hexagonal structures by the XRD patterns and FT-IR, XPS, and EDXA spectra. The representative HRTEM images clearly reveal the layerlike features of the products. Here, the peanut-like structure of the IF-like BN is reported for the first time, and added to the list as one kind of new morphology of BN nanomaterials. The similarity in the structure between h-BN and graphite is responsible for the formation of IF-like BN with nanostructures of vessels, hollow spheres, peanuts, and onions.

Shock compression behavior of a mixture of cubic and hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Hu, Xiaojun; Yang, Gang; Zhao, Bin; Li, Peiyun; Yang, Jun; Leng, Chunwei; Liu, Hanyu; Huang, Haijun; Fei, Yingwei

2018-05-01

We report Hugoniot measurements on a mixture of cubic boron nitride (cBN) and hexagonal boron nitride (hBN, ˜10% in weight) to investigate the shock compression behavior of BN at Hugoniot stresses up to 110 GPa. We observed a discontinuity at ˜77 GPa along the Hugoniot and interpreted it as the manifestation of the shock-induced phase transition of hBN to cBN. The experimental stress at 77-110 GPa shows significant deviation from the hydrodynamic Hugoniot of cBN calculated using the Mie-Grüneisen model coupled with the reported 300 K-isotherms of cBN. Our investigation reveals that material strength in cBN increases with the experimental stress at least up to 110 GPa. The material strength might be preserved at higher stress if we consider the previously reported high stress data.

Large-roll growth of 25-inch hexagonal BN monolayer film for self-release buffer layer of free-standing GaN wafer

NASA Astrophysics Data System (ADS)

Wu, Chenping; Soomro, Abdul Majid; Sun, Feipeng; Wang, Huachun; Huang, Youyang; Wu, Jiejun; Liu, Chuan; Yang, Xiaodong; Gao, Na; Chen, Xiaohong; Kang, Junyong; Cai, Duanjun

2016-10-01

Hexagonal boron nitride (h-BN) is known as promising 2D material with a wide band-gap (~6 eV). However, the growth size of h-BN film is strongly limited by the size of reaction chamber. Here, we demonstrate the large-roll synthesis of monolayer and controllable sub-monolayer h-BN film on wound Cu foil by low pressure chemical vapor deposition (LPCVD) method. By winding the Cu foil substrate into mainspring shape supported by a multi-prong quartz fork, the reactor size limit could be overcome by extending the substrate area to a continuous 2D curl of plane inward. An extremely large-size monolayer h-BN film has been achieved over 25 inches in a 1.2” tube. The optical band gap of h-BN monolayer was determined to be 6.0 eV. The h-BN film was uniformly transferred onto 2” GaN or 4” Si wafer surfaces as a release buffer layer. By HVPE method, overgrowth of thick GaN wafer over 200 μm has been achieved free of residual strain, which could provide high quality homo-epitaxial substrate.

Investigation on the reflector/moderator geometry and its effect on the neutron beam design in BNCT.

PubMed

Kasesaz, Y; Rahmani, F; Khalafi, H

2015-12-01

In order to provide an appropriate neutron beam for Boron Neutron Capture Therapy (BNCT), a special Beam Shaping Assembly (BSA) must be designed based on the neutron source specifications. A typical BSA includes moderator, reflector, collimator, thermal neutron filter, and gamma filter. In common BSA, the reflector is considered as a layer which covers the sides of the moderator materials. In this paper, new reflector/moderator geometries including multi-layer and hexagonal lattice have been suggested and the effect of them has been investigated by MCNP4C Monte Carlo code. It was found that the proposed configurations have a significant effect to improve the thermal to epithermal neutron flux ratio which is an important neutron beam parameter. Copyright © 2015 Elsevier Ltd. All rights reserved.

Alternative Process for Manufacturing of Thin Layers of Boron for Neutron Measurement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Auge, Gregoire; Partyka, Stanislas; Guerard, Bruno

Due to the worldwide shortage of helium 3, Boron-lined proportional counters are developed intensively by several groups. Up to now, thin boron containing layers for neutron detectors are essentially produced by sputtering of boron carbide (B{sub 4}C). This technology provides high quality films but it is slow and expensive. Our paper describes a novel and inexpensive technology for producing boron layers. This technology is based on chemical synthesis of boron 10 nanoparticles, and on electrophoretic deposition of these particles on metallic plates, or on metallic pieces with more complex shapes. The chemical synthesis consists in: - Heating boron 10 withmore » lithium up to 700 deg. C under inert atmosphere: an intermetallic compound, LiB, is produced; - Hydrolysing this intermetallic compound: LiB + H{sub 2}O → B + Li{sup +} + OH{sup -} + 1/2H{sub 2}, where B is under the form of nanoparticles; - Purifying the suspension of boron nanoparticles in water, from lithium hydroxide, by successive membrane filtrations; - Evaporating the purified suspension, in order to get a powder of nanoparticles. The obtained nanoparticles have size around 300 nm, with a high porosity, of about 50%. This particle size is equivalent to about 150 nm massive particles. The nanoparticles are then put into suspension in a specific solvent, in order to perform deposition on metallic surfaces, by electrophoretic method. The solvent is chosen so that it is not electrolysed even under voltages of several tens of volts. An acid is dissolved into the solvent, so that the nanoparticles are positively charged. Deposition is performed on the cathode within about 10 min. The cathode could be an aluminium plate, or a nickel coated aluminium plate. Homogeneous deposition may also be performed on complex shapes, like grids in a Multigrid detector. A large volume of pieces, can be coated with a Boron-10 film in a few hours. The thickness of the layer can be adjusted according to the required neutron detection characteristics, between 0,5 to 5 μm (equivalent to 0,25 to 2.5 massive layer). The thickness is homogenous within a ±20% range. The layer is an almost pure {sup 10}B layer (90%). The ratio of the amount of deposed boron 10 to the amount of raw boron 10 used is more than 80%. Hence, another advantage of this technique is that Boron 10 will be deposited on the cathodes only, without loss of this expensive material. 2 grids of a Multi-Grid detector have been coated with pure Boron by using this technique. The film structure has been analysed with a microscope and the detector has been tested on a monochromatic neutron beam line. Preliminary results will be shown. (authors)« less

Friction of water on graphene and hexagonal boron nitride from ab initio methods: very different slippage despite very similar interface structures.

PubMed

Tocci, Gabriele; Joly, Laurent; Michaelides, Angelos

2014-12-10

Friction is one of the main sources of dissipation at liquid water/solid interfaces. Despite recent progress, a detailed understanding of water/solid friction in connection with the structure and energetics of the solid surface is lacking. Here, we show for the first time that ab initio molecular dynamics can be used to unravel the connection between the structure of nanoscale water and friction for liquid water in contact with graphene and with hexagonal boron nitride. We find that although the interface presents a very similar structure between the two sheets, the friction coefficient on boron nitride is ≈ 3 times larger than that on graphene. This comes about because of the greater corrugation of the energy landscape on boron nitride arising from specific electronic structure effects. We discuss how a subtle dependence of the friction on the atomistic details of a surface, which is not related to its wetting properties, may have a significant impact on the transport of water at the nanoscale, with implications for the development of membranes for desalination and for osmotic power harvesting.

Enhanced optoelectronic performances of vertically aligned hexagonal boron nitride nanowalls-nanocrystalline diamond heterostructures

NASA Astrophysics Data System (ADS)

Sankaran, Kamatchi Jothiramalingam; Hoang, Duc Quang; Kunuku, Srinivasu; Korneychuk, Svetlana; Turner, Stuart; Pobedinskas, Paulius; Drijkoningen, Sien; van Bael, Marlies K.; D' Haen, Jan; Verbeeck, Johan; Leou, Keh-Chyang; Lin, I.-Nan; Haenen, Ken

2016-07-01

Field electron emission (FEE) properties of vertically aligned hexagonal boron nitride nanowalls (hBNNWs) grown on Si have been markedly enhanced through the use of nitrogen doped nanocrystalline diamond (nNCD) films as an interlayer. The FEE properties of hBNNWs-nNCD heterostructures show a low turn-on field of 15.2 V/μm, a high FEE current density of 1.48 mA/cm2 and life-time up to a period of 248 min. These values are far superior to those for hBNNWs grown on Si substrates without the nNCD interlayer, which have a turn-on field of 46.6 V/μm with 0.21 mA/cm2 FEE current density and life-time of 27 min. Cross-sectional TEM investigation reveals that the utilization of the diamond interlayer circumvented the formation of amorphous boron nitride prior to the growth of hexagonal boron nitride. Moreover, incorporation of carbon in hBNNWs improves the conductivity of hBNNWs. Such a unique combination of materials results in efficient electron transport crossing nNCD-to-hBNNWs interface and inside the hBNNWs that results in enhanced field emission of electrons. The prospective application of these materials is manifested by plasma illumination measurements with lower threshold voltage (370 V) and longer life-time, authorizing the role of hBNNWs-nNCD heterostructures in the enhancement of electron emission.

Electron Doping of Ultrathin Black Phosphorus with Cu Adatoms.

PubMed

Koenig, Steven P; Doganov, Rostislav A; Seixas, Leandro; Carvalho, Alexandra; Tan, Jun You; Watanabe, Kenji; Taniguchi, Takashi; Yakovlev, Nikolai; Castro Neto, Antonio H; Özyilmaz, Barbaros

2016-04-13

Few-layer black phosphorus is a monatomic two-dimensional crystal with a direct band gap that has high carrier mobility for both holes and electrons. Similarly to other layered atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is sensitive to surface impurities, adsorbates, and adatoms. Here we study the effect of Cu adatoms onto few-layer black phosphorus by characterizing few-layer black phosphorus field effect devices and by performing first-principles calculations. We find that the addition of Cu adatoms can be used to controllably n-dope few layer black phosphorus, thereby lowering the threshold voltage for n-type conduction without degrading the transport properties. We demonstrate a scalable 2D material-based complementary inverter which utilizes a boron nitride gate dielectric, a graphite gate, and a single bP crystal for both the p- and n-channels. The inverter operates at matched input and output voltages, exhibits a gain of 46, and does not require different contact metals or local electrostatic gating.

Tunable Ultrafast Photon Source and Imaging System for Studying Carrier Dynamics in Graphene Devices

DTIC Science & Technology

2015-07-23

structure systems (for example of graphene and boron nitride ). Figure 2 shows the homebuilt Raman spectroscopy setup in our lab which uses two...pseudo-Dirac points in the band structure. In a run up to these studies, we have also developed a technique to optically image boron nitride flakes with...2) Dheeraj Golla, K. Chattrakun, K. Watanabe, T. Taniguchi, Brian J. LeRoy, Arvinder Sandhu, “Optical thickness determination of hexagonal boron

Toward Edge-Defined Holey Boron Nitride Nanosheets

NASA Technical Reports Server (NTRS)

Lin, Yi; Liao, Yunlong; Chen, Zhongfan; Connell, John W.

2015-01-01

"Holey" two-dimensional (2D) nanosheets with well-defined holy morphology and edge chemistry are highly desirable for applications such as energy storage, catalysis, sensing, transistors, and molecular transport/separation. For example, holey grapheme is currently under extensive investigation for energy storage applications because of the improvement in ion transport due to through the thickness pathways provided by the holes. Without the holes, the 2D materials have significant limitations for such applications in which efficient ion transport is important. As part of an effort to apply this approach to other 2D nanomaterials, a method to etch geometrically defined pits or holes on the basal plane surface of hexagonal boron nitride (h-BN) nanosheets has been developed. The etching, conducted via heating in ambient air using metal nanoparticles as catalysts, was facile, controllable, and scalable. Starting h-BN layered crystals were etched and subsequently exfoliated into boron nitride nanosheets (BNNSs). The as-etched and exfoliated h-BN nanosheets possessed defined pit and hole shapes that were comprised of regulated nanostructures at the edges. The current finding are the first step toward the bulk preparation of holey BNNSs with defined holes and edges.

Ultra-bright emission from hexagonal boron nitride defects as a new platform for bio-imaging and bio-labelling

NASA Astrophysics Data System (ADS)

Elbadawi, Christopher; Tran, Trong Toan; Shimoni, Olga; Totonjian, Daniel; Lobo, Charlene J.; Grosso, Gabriele; Moon, Hyowan; Englund, Dirk R.; Ford, Michael J.; Aharonovich, Igor; Toth, Milos

2016-12-01

Bio-imaging requires robust ultra-bright probes without causing any toxicity to the cellular environment, maintain their stability and are chemically inert. In this work we present hexagonal boron nitride (hBN) nanoflakes which exhibit narrowband ultra-bright single photon emitters1. The emitters are optically stable at room temperature and under ambient environment. hBN has also been noted to be noncytotoxic and seen significant advances in functionalization with biomolecules2,3. We further demonstrate two methods of engineering this new range of extremely robust multicolour emitters across the visible and near infrared spectral ranges for large scale sensing and biolabeling applications.

Energetics and formation mechanism of borders between hexagonal boron nitride and graphene

NASA Astrophysics Data System (ADS)

Sawahata, Hisaki; Yamanaka, Ayaka; Maruyama, Mina; Okada, Susumu

2018-06-01

We studied the energetics of two-dimensional heterostructures consisting of hexagonal boron nitride (h-BN) and graphene with respect to the border structure and heterobond species using density functional theory. A BC heterobond is energetically preferable at the border between h-BN and graphene. We also found that the polarization at the zigzag border increases the total energy of the heterostructures. Competition between the bond formation energy and the polarization energy leads to chiral borders at which BC heterobonds are dominant. By taking the formation process of the heterostructures into account, the zigzag border with BC heterobonds is found to be preferentially synthesized from graphene edges under hydrogen-rich conditions.

Correlated insulator behaviour at half-filling in magic-angle graphene superlattices

NASA Astrophysics Data System (ADS)

Cao, Yuan; Fatemi, Valla; Demir, Ahmet; Fang, Shiang; Tomarken, Spencer L.; Luo, Jason Y.; Sanchez-Yamagishi, Javier D.; Watanabe, Kenji; Taniguchi, Takashi; Kaxiras, Efthimios; Ashoori, Ray C.; Jarillo-Herrero, Pablo

2018-04-01

A van der Waals heterostructure is a type of metamaterial that consists of vertically stacked two-dimensional building blocks held together by the van der Waals forces between the layers. This design means that the properties of van der Waals heterostructures can be engineered precisely, even more so than those of two-dimensional materials. One such property is the ‘twist’ angle between different layers in the heterostructure. This angle has a crucial role in the electronic properties of van der Waals heterostructures, but does not have a direct analogue in other types of heterostructure, such as semiconductors grown using molecular beam epitaxy. For small twist angles, the moiré pattern that is produced by the lattice misorientation between the two-dimensional layers creates long-range modulation of the stacking order. So far, studies of the effects of the twist angle in van der Waals heterostructures have concentrated mostly on heterostructures consisting of monolayer graphene on top of hexagonal boron nitride, which exhibit relatively weak interlayer interaction owing to the large bandgap in hexagonal boron nitride. Here we study a heterostructure consisting of bilayer graphene, in which the two graphene layers are twisted relative to each other by a certain angle. We show experimentally that, as predicted theoretically, when this angle is close to the ‘magic’ angle the electronic band structure near zero Fermi energy becomes flat, owing to strong interlayer coupling. These flat bands exhibit insulating states at half-filling, which are not expected in the absence of correlations between electrons. We show that these correlated states at half-filling are consistent with Mott-like insulator states, which can arise from electrons being localized in the superlattice that is induced by the moiré pattern. These properties of magic-angle-twisted bilayer graphene heterostructures suggest that these materials could be used to study other exotic many-body quantum phases in two dimensions in the absence of a magnetic field. The accessibility of the flat bands through electrical tunability and the bandwidth tunability through the twist angle could pave the way towards more exotic correlated systems, such as unconventional superconductors and quantum spin liquids.

Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression.

PubMed

Mundy, Christopher J; Curioni, Alessandro; Goldman, Nir; Will Kuo, I-F; Reed, Evan J; Fried, Laurence E; Ianuzzi, Marcella

2008-05-14

We report herein ab initio molecular dynamics simulations of graphite under shock compression in conjunction with the multiscale shock technique. Our simulations reveal that a novel short-lived layered diamond intermediate is formed within a few hundred of femtoseconds upon shock loading at a shock velocity of 12 kms (longitudinal stress>130 GPa), followed by formation of cubic diamond. The layered diamond state differs from the experimentally observed hexagonal diamond intermediate found at lower pressures and previous hydrostatic calculations in that a rapid buckling of the graphitic planes produces a mixture of hexagonal and cubic diamond (layered diamond). Direct calculation of the x-ray absorption spectra in our simulations reveals that the electronic structure of the final state closely resembles that of compressed cubic diamond.

Interface-induced perpendicular magnetic anisotropy of Co nanoparticles on single-layer h-BN/Pt(111)

NASA Astrophysics Data System (ADS)

Watanabe, Takahiro; Yamada, Yoichi; Koide, Akihiro; Entani, Shiro; Li, Songtian; Popov, Zakhar I.; Sorokin, Pavel B.; Naramoto, Hiroshi; Sasaki, Masahiro; Amemiya, Kenta; Sakai, Seiji

2018-01-01

Ferromagnetism with perpendicular magnetic anisotropy (PMA) was observed at room temperature in cobalt nanoparticles (NPs) grown on hexagonal boron nitride (h-BN) on a Pt(111) surface. It was shown that the Co NPs have planar hexagonal shapes with a mean diameter of ˜20 nm and a mean height of ˜1.6 nm. The depth-resolved analysis of X-ray magnetic circular dichroism at the Co L2,3-edges revealed that in the ferromagnetic Co NPs, the ratio of the orbital magnetic moment to the spin magnetic moment in the out-of-plane direction becomes larger at the Co NP/h-BN interface than the ratio in bulk Co. The B and N K-edge near edge X-ray absorption fine structures showed the orbital hybridization between the π orbitals of h-BN and d orbitals of Co at the interface, as an origin of the orbital magnetic moment enhancement possibly giving rise to PMA in the Co NPs.

Chemical Interaction-Guided, Metal-Free Growth of Large-Area Hexagonal Boron Nitride on Silicon-Based Substrates.

PubMed

Behura, Sanjay; Nguyen, Phong; Debbarma, Rousan; Che, Songwei; Seacrist, Michael R; Berry, Vikas

2017-05-23

Hexagonal boron nitride (h-BN) is an ideal platform for interfacing with two-dimensional (2D) nanomaterials to reduce carrier scattering for high-quality 2D electronics. However, scalable, transfer-free growth of hexagonal boron nitride (h-BN) remains a challenge. Currently, h-BN-based 2D heterostructures require exfoliation or chemical transfer of h-BN grown on metals resulting in small areas or significant interfacial impurities. Here, we demonstrate a surface-chemistry-influenced transfer-free growth of large-area, uniform, and smooth h-BN directly on silicon (Si)-based substrates, including Si, silicon nitride (Si 3 N 4 ), and silicon dioxide (SiO 2 ), via low-pressure chemical vapor deposition. The growth rates increase with substrate electronegativity, Si < Si 3 N 4 < SiO 2 , consistent with the adsorption rates calculated for the precursor molecules via atomistic molecular dynamics simulations. Under graphene with high grain density, this h-BN film acts as a polymer-free, planar-dielectric interface increasing carrier mobility by 3.5-fold attributed to reduced surface roughness and charged impurities. This single-step, chemical interaction guided, metal-free growth mechanism of h-BN for graphene heterostructures establishes a potential pathway for the design of complex and integrated 2D-heterostructured circuitry.

Nanoimaging of resonating hyperbolic polaritons in linear boron nitride antennas

PubMed Central

Alfaro-Mozaz, F. J.; Alonso-González, P.; Vélez, S.; Dolado, I.; Autore, M.; Mastel, S.; Casanova, F.; Hueso, L. E.; Li, P.; Nikitin, A. Y.; Hillenbrand, R.

2017-01-01

Polaritons in layered materials—including van der Waals materials—exhibit hyperbolic dispersion and strong field confinement, which makes them highly attractive for applications including optical nanofocusing, sensing and control of spontaneous emission. Here we report a near-field study of polaritonic Fabry–Perot resonances in linear antennas made of a hyperbolic material. Specifically, we study hyperbolic phonon–polaritons in rectangular waveguide antennas made of hexagonal boron nitride (h-BN, a prototypical van der Waals crystal). Infrared nanospectroscopy and nanoimaging experiments reveal sharp resonances with large quality factors around 100, exhibiting atypical modal near-field patterns that have no analogue in conventional linear antennas. By performing a detailed mode analysis, we can assign the antenna resonances to a single waveguide mode originating from the hybridization of hyperbolic surface phonon–polaritons (Dyakonov polaritons) that propagate along the edges of the h-BN waveguide. Our work establishes the basis for the understanding and design of linear waveguides, resonators, sensors and metasurface elements based on hyperbolic materials and metamaterials. PMID:28589941

Superconducting transition temperature of a boron nitride layer with a high niobium coverage.

NASA Astrophysics Data System (ADS)

Vazquez, Gerardo; Magana, Fernando

We explore the possibility of inducing superconductivity in a Boron Nitride (BN) sheet, by doping its surface with Nb atoms sitting on the center of the hexagons. We used first-principles density functional theory in the general gradient approximation. The Quantum-Espresso package was used with norm conserving pseudo potentials. The structure considered was relaxed to their minimum energy configuration. Phonon frequencies were calculated using the linear-response technique on several phonon wave-vector meshes. The electron-phonon coupling parameter was calculated for a number of k meshes. The superconducting critical temperature was estimated using the Allen-Dynes formula with μ* = 0.1 - 0.15. We note that Nb is a good candidate material to show a superconductor transition for the BN-metal system. We thank Dirección General de Asuntos del Personal Académico de la Universidad Nacional Autónoma de México, partial financial support by Grant IN-106514 and we also thank Miztli Super-Computing center the technical assistance.

High hardness BaCb-(BxOy/BN) composites with 3D mesh-like fine grain-boundary structure by reactive spark plasma sintering.

PubMed

Vasylkiv, Oleg; Borodianska, Hanna; Badica, Petre; Grasso, Salvatore; Sakka, Yoshio; Tok, Alfred; Su, Liap Tat; Bosman, Michael; Ma, Jan

2012-02-01

Boron carbide B4C powders were subject to reactive spark plasma sintering (also known as field assisted sintering, pulsed current sintering or plasma assisted sintering) under nitrogen atmosphere. For an optimum hexagonal BN (h-BN) content estimated from X-ray diffraction measurements at approximately 0.4 wt%, the as-prepared BaCb-(BxOy/BN) ceramic shows values of Berkovich and Vickers hardness of 56.7 +/- 3.1 GPa and 39.3 +/- 7.6 GPa, respectively. These values are higher than for the vacuum SPS processed B4C pristine sample and the h-BN -mechanically-added samples. XRD and electronic microscopy data suggest that in the samples produced by reactive SPS in N2 atmosphere, and containing an estimated amount of 0.3-1.5% h-BN, the crystallite size of the boron carbide grains is decreasing with the increasing amount of N2, while for the newly formed lamellar h-BN the crystallite size is almost constant (approximately 30-50 nm). BN is located at the grain boundaries between the boron carbide grains and it is wrapped and intercalated by a thin layer of boron oxide. BxOy/BN forms a fine and continuous 3D mesh-like structure that is a possible reason for good mechanical properties.

Single-step synthesis of crystalline h-BN quantum- and nanodots embedded in boron carbon nitride films

NASA Astrophysics Data System (ADS)

Matsoso, Boitumelo J.; Ranganathan, Kamalakannan; Mutuma, Bridget K.; Lerotholi, Tsenolo; Jones, Glenn; Coville, Neil J.

2017-03-01

Herein we report on the synthesis and characterization of novel crystalline hexagonal boron nitride (h-BN) quantum- and nanodots embedded in large-area boron carbon nitride (BCN) films. The films were grown on a Cu substrate by an atmospheric pressure chemical vapour deposition technique. Methane, ammonia, and boric acid were used as precursors for C, N and B to grow these few atomic layer thick uniform films. We observed that both the size of the h-BN quantum/nanodots and thickness of the BCN films were influenced by the vaporization temperature of boric acid as well as the H3BO3 (g) flux over the Cu substrate. These growth conditions were easily achieved by changing the position of the solid boric acid in the reactor with respect to the Cu substrate. Atomic force microscope (AFM) and TEM analyses show a variation in the h-BN dot size distribution, ranging from nanodots (˜224 nm) to quantum dots (˜11 nm) as the B-source is placed further away from the Cu foil. The distance between the B-source and the Cu foil gave an increase in the C atomic composition (42 at% C-65 at% C) and a decrease in both B and N contents (18 at% B and 14 at% N to 8 at% B and 7 at% N). UV-vis absorption spectra showed a higher band gap energy for the quantum dots (5.90 eV) in comparison with the nanodots (5.68 eV) due to a quantum confinement effect. The results indicated that the position of the B-source and its reaction with ammonia plays a significant role in controlling the nucleation of the h-BN quantum- and nanodots. The films are proposed to be used in solar cells. A mechanism to explain the growth of h-BN quantum/nanodots in BCN films is reported.

Boron Nitride Nanostructures: Fabrication, Functionalization and Applications.

PubMed

Yin, Jun; Li, Jidong; Hang, Yang; Yu, Jin; Tai, Guoan; Li, Xuemei; Zhang, Zhuhua; Guo, Wanlin

2016-06-01

Boron nitride (BN) structures are featured by their excellent thermal and chemical stability and unique electronic and optical properties. However, the lack of controlled synthesis of quality samples and the electrically insulating property largely prevent realizing the full potential of BN nanostructures. A comprehensive overview of the current status of the synthesis of two-dimensional hexagonal BN sheets, three dimensional porous hexagonal BN materials and BN-involved heterostructures is provided, highlighting the advantages of different synthetic methods. In addition, structural characterization, functionalizations and prospective applications of hexagonal BN sheets are intensively discussed. One-dimensional BN nanoribbons and nanotubes are then discussed in terms of structure, fabrication and functionality. In particular, the existing routes in pursuit of tunable electronic and magnetic properties in various BN structures are surveyed, calling upon synergetic experimental and theoretical efforts to address the challenges for pioneering the applications of BN into functional devices. Finally, the progress in BN superstructures and novel B/N nanostructures is also briefly introduced. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Wenshuai; Wu, Zili; Foo, Guo Shiou

Taming interfacial electronic effects on Pt nanoparticles modulated by their concomitants has emerged as an intriguing approach to optimize Pt catalytic performance. Here, we report Pt nanoparticles assembled on vacancy-abundant hexagonal boron nitride nanosheets and their use as a model catalyst to embrace an interfacial electronic effect on Pt induced by the nanosheets with N-vacancies and B-vacancies for superior CO oxidation catalysis. Experimental results indicate that strong interaction exists between Pt and the vacancies. Bader charge analysis shows that with Pt on B-vacancies, the nanosheets serve as a Lewis acid to accept electrons from Pt, and on the contrary, whenmore » Pt sits on N-vacancies, the nanosheets act as a Lewis base for donating electrons to Pt. The overall-electronic effect demonstrates an electron-rich feature of Pt after assembling on hexagonal boron nitride nanosheets. Such an interfacial electronic effect makes Pt favour the adsorption of O 2, alleviating CO poisoning and promoting the catalysis.« less

Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis

DOE PAGES

Zhu, Wenshuai; Wu, Zili; Foo, Guo Shiou; ...

2017-06-09

Taming interfacial electronic effects on Pt nanoparticles modulated by their concomitants has emerged as an intriguing approach to optimize Pt catalytic performance. Here, we report Pt nanoparticles assembled on vacancy-abundant hexagonal boron nitride nanosheets and their use as a model catalyst to embrace an interfacial electronic effect on Pt induced by the nanosheets with N-vacancies and B-vacancies for superior CO oxidation catalysis. Experimental results indicate that strong interaction exists between Pt and the vacancies. Bader charge analysis shows that with Pt on B-vacancies, the nanosheets serve as a Lewis acid to accept electrons from Pt, and on the contrary, whenmore » Pt sits on N-vacancies, the nanosheets act as a Lewis base for donating electrons to Pt. The overall-electronic effect demonstrates an electron-rich feature of Pt after assembling on hexagonal boron nitride nanosheets. Such an interfacial electronic effect makes Pt favour the adsorption of O 2, alleviating CO poisoning and promoting the catalysis.« less

Catalytically-etched hexagonal boron nitride flakes and their surface activity

NASA Astrophysics Data System (ADS)

Kim, Do-Hyun; Lee, Minwoo; Ye, Bora; Jang, Ho-Kyun; Kim, Gyu Tae; Lee, Dong-Jin; Kim, Eok-Soo; Kim, Hong Dae

2017-04-01

Hexagonal boron nitride (h-BN) is a ceramic compound which is thermally stable up to 1000 °C in air. Due to this, it is a very challenging task to etch h-BN under air atmosphere at low temperature. In this study, we report that h-BN flakes can be easily etched by oxidation at 350 °C under air atmosphere in the presence of transition metal (TM) oxide. After selecting Co, Cu, and Zn elements as TM precursors, we simply oxidized h-BN sheets impregnated with the TM precursors at 350 °C in air. As a result, microscopic analysis revealed that an etched structure was created on the surface of h-BN flakes regardless of catalyst type. And, X-ray diffraction patterns indicated that the air oxidation led to the formation of Co3O4, CuO, and ZnO from each precursor. Thermogravimetric analysis showed a gradual weight loss in the temperature range where the weight of h-BN flakes increased by air oxidation. As a result of etching, pore volume and pore area of h-BN flakes were increased after catalytic oxidation in all cases. In addition, the surface of h-BN flakes became highly active when the h-BN samples were etched by Co3O4 and CuO catalysts. Based on these results, we report that h-BN flakes can be easily oxidized in the presence of a catalyst, resulting in an etched structure in the layered structure.

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Xu-Qian; Lee, Jaesung; Feng, Philip X. -L.

Atomic layers of hexagonal boron nitride (h-BN) crystal are excellent candidates for structural materials as enabling ultrathin, two-dimensional (2D) nanoelectromechanical systems (NEMS) due to the outstanding mechanical properties and very wide bandgap (5.9 eV) of h-BN. In this work, we report the experimental demonstration of h-BN 2D nanomechanical resonators vibrating at high and very high frequencies (from ~ 5 to ~ 70 MHz), and investigations of the elastic properties of h-BN by measuring the multimode resonant behavior of these devices. First, we demonstrate a dry-transferred doubly clamped h-BN membrane with ~ 6.7 nm thickness, the thinnest h-BN resonator known tomore » date. In addition, we fabricate circular drumhead h-BN resonators with thicknesses ranging from ~ 9 to 292 nm, from which we measure up to eight resonance modes in the range of ~ 18 to 35 MHz. Combining measurements and modeling of the rich multimode resonances, we resolve h-BN’s elastic behavior, including the transition from membrane to disk regime, with built-in tension ranging from 0.02 to 2 N m -1. The Young’s modulus of h-BN is determined to be EY≈392 GPa from the measured resonances. The ultrasensitive measurements further reveal subtle structural characteristics and mechanical properties of the suspended h-BN diaphragms, including anisotropic built-in tension and bulging, thus suggesting guidelines on how these effects can be exploited for engineering multimode resonant functions in 2D NEMS transducers.« less

Exceptionally large migration length of carbon and topographically-facilitated self-limiting molecular beam epitaxial growth of graphene on hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Plaut, Annette S.; Wurstbauer, Ulrich; Wang, Sheng

We demonstrate growth of single-layer graphene (SLG) on hexagonal boron nitride (h-BN) by molecular beam epitaxy (MBE), only limited in area by the finite size of the h-BN flakes. Using atomic force microscopy and micro-Raman spectroscopy, we show that for growth over a wide range of temperatures (500 °C – 1000 °C) the deposited carbon atoms spill off the edge of the h-BN flakes. We attribute this spillage to the very high mobility of the carbon atoms on the BN basal plane, consistent with van der Waals MBE. The h-BN flakes vary in size from 30 μm to 100 μm,more » thus demonstrating that the migration length of carbon atoms on h-BN is greater than 100 μm. When sufficient carbon is supplied to compensate for this loss, which is largely due to this fast migration of the carbon atoms to and off the edges of the h-BN flake, we find that the best growth temperature for MBE SLG on h-BN is ~950 °C. Self-limiting graphene growth appears to be facilitated by topographic h-BN surface features: We have thereby grown MBE self-limited SLG on an h-BN ridge. This opens up future avenues for precisely tailored fabrication of nano- and hetero-structures on pre-patterned h-BN surfaces for device applications.« less

Hexagonal boron nitride nanomechanical resonators with spatially visualized motion

DOE PAGES

Zheng, Xu-Qian; Lee, Jaesung; Feng, Philip X. -L.

2017-07-31

Atomic layers of hexagonal boron nitride (h-BN) crystal are excellent candidates for structural materials as enabling ultrathin, two-dimensional (2D) nanoelectromechanical systems (NEMS) due to the outstanding mechanical properties and very wide bandgap (5.9 eV) of h-BN. In this work, we report the experimental demonstration of h-BN 2D nanomechanical resonators vibrating at high and very high frequencies (from ~ 5 to ~ 70 MHz), and investigations of the elastic properties of h-BN by measuring the multimode resonant behavior of these devices. First, we demonstrate a dry-transferred doubly clamped h-BN membrane with ~ 6.7 nm thickness, the thinnest h-BN resonator known tomore » date. In addition, we fabricate circular drumhead h-BN resonators with thicknesses ranging from ~ 9 to 292 nm, from which we measure up to eight resonance modes in the range of ~ 18 to 35 MHz. Combining measurements and modeling of the rich multimode resonances, we resolve h-BN’s elastic behavior, including the transition from membrane to disk regime, with built-in tension ranging from 0.02 to 2 N m -1. The Young’s modulus of h-BN is determined to be EY≈392 GPa from the measured resonances. The ultrasensitive measurements further reveal subtle structural characteristics and mechanical properties of the suspended h-BN diaphragms, including anisotropic built-in tension and bulging, thus suggesting guidelines on how these effects can be exploited for engineering multimode resonant functions in 2D NEMS transducers.« less

Nucleation Control for Large, Single Crystalline Domains of Monolayer Hexagonal Boron Nitride via Si-Doped Fe Catalysts

PubMed Central

2015-01-01

The scalable chemical vapor deposition of monolayer hexagonal boron nitride (h-BN) single crystals, with lateral dimensions of ∼0.3 mm, and of continuous h-BN monolayer films with large domain sizes (>25 μm) is demonstrated via an admixture of Si to Fe catalyst films. A simple thin-film Fe/SiO2/Si catalyst system is used to show that controlled Si diffusion into the Fe catalyst allows exclusive nucleation of monolayer h-BN with very low nucleation densities upon exposure to undiluted borazine. Our systematic in situ and ex situ characterization of this catalyst system establishes a basis for further rational catalyst design for compound 2D materials. PMID:25664483

Dyakonov surface waves at the interface between hexagonal-boron-nitride and isotropic material

NASA Astrophysics Data System (ADS)

Zhu, B.; Ren, G.; Gao, Y.; Wang, Q.; Wan, C.; Wang, J.; Jian, S.

2016-12-01

In this paper we analyze the propagation of Dyakonov surface waves (DSWs) at the interface between hexagonal-boron-nitride (h-BN) and isotropic dielectric material. Various properties of DSWs supported at the dielectric-elliptic and dielectric-hyperbolic types of interfaces have been theoretically investigated, including the real effective index, propagation length, the angular existence domain (AED) and the composition ratio of evanescent field components in an h-BN crystal and isotropic dielectric material, respectively. The analysis in this paper reveals that h-BN could be a promising anisotropic material to observe the propagation of DSWs and may have potential diverse applications, such as high sensitivity stress sensing or optical sensing of analytes infiltrating dielectric materials.

Modelling heat conduction in polycrystalline hexagonal boron-nitride films

PubMed Central

Mortazavi, Bohayra; Pereira, Luiz Felipe C.; Jiang, Jin-Wu; Rabczuk, Timon

2015-01-01

We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size on the thermal conductivity of polycrystalline h-BN films at various temperatures. Using the EMD results, we constructed finite element models of polycrystalline h-BN sheets to probe the thermal conductivity of samples with larger grain sizes. Our multiscale investigations not only provide a general viewpoint regarding the heat conduction in h-BN films but also propose that polycrystalline h-BN sheets present high thermal conductivity comparable to monocrystalline sheets. PMID:26286820

Effective cleaning of hexagonal boron nitride for graphene devices.

PubMed

Garcia, Andrei G F; Neumann, Michael; Amet, François; Williams, James R; Watanabe, Kenji; Taniguchi, Takashi; Goldhaber-Gordon, David

2012-09-12

Hexagonal boron nitride (h-BN) films have attracted considerable interest as substrates for graphene. ( Dean, C. R. et al. Nat. Nanotechnol. 2010 , 5 , 722 - 6 ; Wang, H. et al. Electron Device Lett. 2011 , 32 , 1209 - 1211 ; Sanchez-Yamagishi, J. et al. Phys. Rev. Lett. 2012 , 108 , 1 - 5 .) We study the presence of organic contaminants introduced by standard lithography and substrate transfer processing on h-BN films exfoliated on silicon oxide substrates. Exposure to photoresist processing adds a large broad luminescence peak to the Raman spectrum of the h-BN flake. This signal persists through typical furnace annealing recipes (Ar/H(2)). A recipe that successfully removes organic contaminants and results in clean h-BN flakes involves treatment in Ar/O(2) at 500 °C.

van der Waals heterostructures of germanene, stanene, and silicene with hexagonal boron nitride and their topological domain walls

NASA Astrophysics Data System (ADS)

Wang, Maoyuan; Liu, Liping; Liu, Cheng-Cheng; Yao, Yugui

2016-04-01

We investigate van der Waals (vdW) heterostructures made of germanene, stanene, or silicene with hexagonal boron nitride (h-BN). The intriguing topological properties of these buckled honeycomb materials can be maintained and further engineered in the heterostructures, where the competition between the substrate effect and external electric fields can be used to control the tunable topological phase transitions. Using such heterostructures as building blocks, various vdW topological domain walls (DW) are designed, along which there exist valley polarized quantum spin Hall edge states or valley-contrasting edge states which are protected by valley(spin)- resolved topological charges and can be tailored by the patterning of the heterojunctions and by external fields.

Covalent coupling via dehalogenation on Ni(111) supported boron nitride and graphene.

PubMed

Morchutt, Claudius; Björk, Jonas; Krotzky, Sören; Gutzler, Rico; Kern, Klaus

2015-02-11

Polymerization of 1,3,5-tris(4-bromophenyl)benzene via dehalogenation on graphene and hexagonal boron nitride is investigated by scanning tunneling microscopy experiments and density functional theory calculations. This work reveals how the interactions between molecules and graphene or h-BN grown on Ni(111) govern the surface-confined synthesis of polymers through C-C coupling.

X-ray absorption spectra: Graphene, h-BN, and their alloy

NASA Astrophysics Data System (ADS)

Bhowmick, Somnath; Rusz, Jan; Eriksson, Olle

2013-04-01

Using first-principles density functional theory calculations, in conjunction with the Mahan-Nozières-de Dominicis theory, we calculate the x-ray absorption spectra of the alloys of graphene and monolayer hexagonal boron nitride on a Ni (111) substrate. The chemical neighborhood of the constituent atoms (B, C, and N) inside the alloy differs from that of the parent phases. In a systematic way, we capture the change in the K-edge spectral shape, depending on the chemical neighborhood of B, C, and N. Our work also reiterates the importance of the dynamical core-hole screening for a proper description of the x-ray absorption process in sp2-bonded layered materials.

STM/STS study of graphene directly grown on h-BN films on Cu foils

NASA Astrophysics Data System (ADS)

Jang, Won-Jun; Wang, Min; Jang, Seong-Gyu; Kim, Minwoo; Park, Seong-Yong; Kim, Sang-Woo; Kahng, Se-Jong; Choi, Jae-Young; Song, Young; Lee, Sungjoo; Sanit Collaboration; Department Of Physics, Korea University Collaboration; Graphene Research Center, Samsung Advanced Institute Of Technology Collaboration

2013-03-01

Graphene-based devices on standard SiO2 substrate commonly exhibit inferior characteristics relative to the expected intrinsic properties of graphene, due to the disorder existing at graphene-SiO2 interface. Recently, it has been shown that exfoliated and chemical vapor deposition (CVD) graphene transferred onto hexagonal boron nitride (h-BN) possesses significantly reduced charge inhomogeneity, and yields improved device performance. Here we report the scanning tunneling microscopy (STM) and spectroscopy (STS) results obtained from a graphene layer directly grown on h-BN insulating films on Cu foils. STS measurements illustrate that graphene/h-BN film is charge neutral without electronic perturbation from h-BN/Cu substrate. Corresponding Author

Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Monolayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ekanayake, Niranji; Huang, Jingsong; Jakowski, Jacek

According to recent experiments, atomically thin hexagonal boron nitride and graphene are permeable to protons and deuterons (and not to other atomic species), and the experimental estimates of the activation energy are lower than the theoretical values by about 0.5 eV for the isolated proton-membrane transfer model. Our analysis of the electronic potential energy surfaces along the normal to the transmission direction, obtained using correlated electronic structure methods, suggests that the aqueous environment is essential to stabilize the proton { as opposed to the hydrogenatom { transmission. Therefore, the process is examined within a molecular model of H 2O {more » H(D) + { material { H 2O. Exact quantum-mechanical scattering calculations are performed to assess the relevance of the nuclear quantum eects, such as tunneling factors and the kinetic isotope eect (KIE). Deuteration is found to aect the thermal reaction rate constants (KIE of 3-4 for hexagonal boron nitride and 20-30 for the graphene) and to eectively lower the barriers to the proton transfer by 0.2 and 0.4 eV for the two membranes, respectively. This lowering eect is reduced for the deuteron by approximately a factor of three. A more comprehensive description of the proton transmission is likely to require an extended explicit aqueous environment.« less

Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Monolayers

DOE PAGES

Ekanayake, Niranji; Huang, Jingsong; Jakowski, Jacek; ...

2017-10-02

According to recent experiments, atomically thin hexagonal boron nitride and graphene are permeable to protons and deuterons (and not to other atomic species), and the experimental estimates of the activation energy are lower than the theoretical values by about 0.5 eV for the isolated proton-membrane transfer model. Our analysis of the electronic potential energy surfaces along the normal to the transmission direction, obtained using correlated electronic structure methods, suggests that the aqueous environment is essential to stabilize the proton { as opposed to the hydrogenatom { transmission. Therefore, the process is examined within a molecular model of H 2O {more » H(D) + { material { H 2O. Exact quantum-mechanical scattering calculations are performed to assess the relevance of the nuclear quantum eects, such as tunneling factors and the kinetic isotope eect (KIE). Deuteration is found to aect the thermal reaction rate constants (KIE of 3-4 for hexagonal boron nitride and 20-30 for the graphene) and to eectively lower the barriers to the proton transfer by 0.2 and 0.4 eV for the two membranes, respectively. This lowering eect is reduced for the deuteron by approximately a factor of three. A more comprehensive description of the proton transmission is likely to require an extended explicit aqueous environment.« less

Anticorrosive performance of waterborne epoxy coatings containing water-dispersible hexagonal boron nitride (h-BN) nanosheets

NASA Astrophysics Data System (ADS)

Cui, Mingjun; Ren, Siming; Chen, Jia; Liu, Shuan; Zhang, Guangan; Zhao, Haichao; Wang, Liping; Xue, Qunji

2017-03-01

Homogenous dispersion of hexagonal boron nitride (h-BN) nanosheets in solvents or in the polymer matrix is crucial to initiate their many applications. Here, homogeneous dispersion of hexagonal boron nitride (h-BN) in epoxy matrix was achieved with a water-soluble carboxylated aniline trimer derivative (CAT-) as a dispersant, which was attributed to the strong π-π interaction between h-BN and CAT-, as proved by Raman and UV-vis spectra. Transmission electron microscopy (TEM) analysis confirmed a random dispersion of h-BN nanosheets in the waterborne epoxy coatings. The deterioration process of water-borne epoxy coating with and without h-BN nanosheets during the long-term immersion in 3.5 wt% NaCl solution was investigated by electrochemical measurements and water absorption test. Results implied that the introduction of well dispersed h-BN nanosheets into waterborne epoxy system remarkably improved the corrosion protection performance to substrate. Moreover, 1 wt% BN/EP composite coated substrate exhibited higher impedance modulus (1.3 × 106 Ω cm2) and lower water absorption (4%) than those of pure waterborne epoxy coating coated electrode after long-term immersion in 3.5 wt% NaCl solution, demonstrating its superior anticorrosive performance. This enhanced anticorrosive performance was mainly ascribed to the improved water barrier property of epoxy coating via incorporating homogeneously dispersed h-BN nanosheets.

Ultrahigh performance heat spreader based on gas-liquid exfoliation boron nitride nanosheets.

PubMed

Ding, Jiheng; Zhao, Hongran; Wang, Qiaolei; Peng, Wanjun; Yu, Haibin

2017-11-24

Due to their high thermal conductivity and insulation performance, boron nitride nanosheets (BNNS) have great promise to fabricate thermal management equipment for application in power electronics. The liquid-phase exfoliation route has been regarded as the most commonly used approach to produce single and few-layered BNNS for many research fields. However, this process takes a long time, and the production yield is extremely low. In this work, an efficient technique to obtain few-layered (mostly < 5 layers), high-yield (∼33%), and plane-defect-free BNNS by the combination of liquid N 2 (L-N 2 ) gasification and liquid exfoliation was developed. The as-obtained BNNS suspensions could be vacuum filtered to make a thermal conductive film named a BNNS heat spreader which possessed a superior thermal conductivity of 61.2 W m -1 K -1 at room temperature. In addition, we also proved that the thermal conductivity of the BNNS heat spreader increased with the increase of density, creating an approach for fine tuning the thermal property of this heat spreader.

Ultrahigh performance heat spreader based on gas-liquid exfoliation boron nitride nanosheets

NASA Astrophysics Data System (ADS)

Ding, Jiheng; Zhao, Hongran; Wang, Qiaolei; Peng, Wanjun; Yu, Haibin

2017-11-01

Due to their high thermal conductivity and insulation performance, boron nitride nanosheets (BNNS) have great promise to fabricate thermal management equipment for application in power electronics. The liquid-phase exfoliation route has been regarded as the most commonly used approach to produce single and few-layered BNNS for many research fields. However, this process takes a long time, and the production yield is extremely low. In this work, an efficient technique to obtain few-layered (mostly < 5 layers), high-yield (˜33%), and plane-defect-free BNNS by the combination of liquid N2 (L-N2) gasification and liquid exfoliation was developed. The as-obtained BNNS suspensions could be vacuum filtered to make a thermal conductive film named a BNNS heat spreader which possessed a superior thermal conductivity of 61.2 W m-1 K-1 at room temperature. In addition, we also proved that the thermal conductivity of the BNNS heat spreader increased with the increase of density, creating an approach for fine tuning the thermal property of this heat spreader.

Enhanced Resonant Tunneling in Symmetric 2D Semiconductor Vertical Heterostructure Transistors.

PubMed

Campbell, Philip M; Tarasov, Alexey; Joiner, Corey A; Ready, William J; Vogel, Eric M

2015-05-26

Tunneling transistors with negative differential resistance have widespread appeal for both digital and analog electronics. However, most attempts to demonstrate resonant tunneling devices, including graphene-insulator-graphene structures, have resulted in low peak-to-valley ratios, limiting their application. We theoretically demonstrate that vertical heterostructures consisting of two identical monolayer 2D transition-metal dichalcogenide semiconductor electrodes and a hexagonal boron nitride barrier result in a peak-to-valley ratio several orders of magnitude higher than the best that can be achieved using graphene electrodes. The peak-to-valley ratio is large even at coherence lengths on the order of a few nanometers, making these devices appealing for nanoscale electronics.

Three-chain B{sub 6n+14} cages as possible precursors for the syntheses of boron fullerenes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Haigang, E-mail: luhg@sxu.edu.cn; Li, Si-Dian

Using the first principle methods, we proposed a series of three-chain boron cages B{sub 6n+14} (n = 1–12) which are mainly built by fusing three boron semi-double-rings. Their simple geometric structures (approximate D{sub 3} or C{sub 3} symmetry) facilitate their bottom-up syntheses from the hexagonal B{sub 7} and the double-chain boron clusters, such as B{sub 2}, B{sub 4}, B{sub 6}, B{sub 8}H{sub 2}, B{sub 10}H{sub 2}, B{sub 12}H{sub 2}, and the double ring B{sub 20}. The spherical shapes of these three-chain boron cages show that they could be taken as the possible precursors to further synthesize the boron fullerenes, suchmore » as B{sub 80}. Therefore, these three-chain boron cages provide a possible synthesis pathway of the boron fullerenes from the experimentally synthesized small planar boron clusters.« less

Catalytic CVD synthesis of boron nitride and carbon nanomaterials - synergies between experiment and theory.

PubMed

McLean, Ben; Eveleens, Clothilde A; Mitchell, Izaac; Webber, Grant B; Page, Alister J

2017-10-11

Low-dimensional carbon and boron nitride nanomaterials - hexagonal boron nitride, graphene, boron nitride nanotubes and carbon nanotubes - remain at the forefront of advanced materials research. Catalytic chemical vapour deposition has become an invaluable technique for reliably and cost-effectively synthesising these materials. In this review, we will emphasise how a synergy between experimental and theoretical methods has enhanced the understanding and optimisation of this synthetic technique. This review examines recent advances in the application of CVD to synthesising boron nitride and carbon nanomaterials and highlights where, in many cases, molecular simulations and quantum chemistry have provided key insights complementary to experimental investigation. This synergy is particularly prominent in the field of carbon nanotube and graphene CVD synthesis, and we propose here it will be the key to future advances in optimisation of CVD synthesis of boron nitride nanomaterials, boron nitride - carbon composite materials, and other nanomaterials generally.

Self-consistent perturbation theory for two dimensional twisted bilayers

NASA Astrophysics Data System (ADS)

Shirodkar, Sharmila N.; Tritsaris, Georgios A.; Kaxiras, Efthimios

Theoretical modeling and ab-initio simulations of two dimensional heterostructures with arbitrary angles of rotation between layers involve unrealistically large and expensive calculations. To overcome this shortcoming, we develop a methodology for weakly interacting heterostructures that treats the effect of one layer on the other as perturbation, and restricts the calculations to their primitive cells. Thus, avoiding computationally expensive supercells. We start by approximating the interaction potential between the twisted bilayers to that of a hypothetical configuration (viz. ideally stacked untwisted layers), which produces band structures in reasonable agreement with full-scale ab-initio calculations for commensurate and twisted bilayers of graphene (Gr) and Gr/hexagonal boron nitride (h-BN) heterostructures. We then self-consistently calculate the charge density and hence, interaction potential of the heterostructures. In this work, we test our model for bilayers of various combinations of Gr, h-BN and transition metal dichalcogenides, and discuss the advantages and shortcomings of the self-consistently calculated interaction potential. Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.

Controlling Catalyst Bulk Reservoir Effects for Monolayer Hexagonal Boron Nitride CVD.

PubMed

Caneva, Sabina; Weatherup, Robert S; Bayer, Bernhard C; Blume, Raoul; Cabrero-Vilatela, Andrea; Braeuninger-Weimer, Philipp; Martin, Marie-Blandine; Wang, Ruizhi; Baehtz, Carsten; Schloegl, Robert; Meyer, Jannik C; Hofmann, Stephan

2016-02-10

Highly controlled Fe-catalyzed growth of monolayer hexagonal boron nitride (h-BN) films is demonstrated by the dissolution of nitrogen into the catalyst bulk via NH3 exposure prior to the actual growth step. This "pre-filling" of the catalyst bulk reservoir allows us to control and limit the uptake of B and N species during borazine exposure and thereby to control the incubation time and h-BN growth kinetics while also limiting the contribution of uncontrolled precipitation-driven h-BN growth during cooling. Using in situ X-ray diffraction and in situ X-ray photoelectron spectroscopy combined with systematic growth calibrations, we develop an understanding and framework for engineering the catalyst bulk reservoir to optimize the growth process, which is also relevant to other 2D materials and their heterostructures.

Hexagonal boron nitride and water interaction parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yanbin; Aluru, Narayana R., E-mail: aluru@illinois.edu; Wagner, Lucas K.

2016-04-28

The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics andmore » ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems.« less

A hybrid density functional study of silicon and phosphorus doped hexagonal boron nitride monolayer

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Igumbor, E.; Chetty, N.

2016-10-01

We present a hybrid density functional study of silicon (Si) and phosphorus (P) doped hexagonal boron nitride (h-BN). The local geometry, electronic structure and thermodynamic stability of Si B , Si N , P B and P N are examined using hybrid Heyd-Scuseria- Ernzerhof (HSE) functional. The defect induced buckling and the local bond distances around the defect are sensitive to charge state modulation q = -2, -1, 0, +1 and +2. The +1 charge state is found to be the most energetically stable state and significantly reduces the buckling. Based on the charge state thermodynamic transition levels, we noted that the Si N , Si N and P B defects are too deep to be ionized, and can alter the optical properties of h-BN material.

Efficiency of Launching Highly Confined Polaritons by Infrared Light Incident on a Hyperbolic Material.

PubMed

Dai, Siyuan; Ma, Qiong; Yang, Yafang; Rosenfeld, Jeremy; Goldflam, Michael D; McLeod, Alex; Sun, Zhiyuan; Andersen, Trond I; Fei, Zhe; Liu, Mengkun; Shao, Yinming; Watanabe, Kenji; Taniguchi, Takashi; Thiemens, Mark; Keilmann, Fritz; Jarillo-Herrero, Pablo; Fogler, Michael M; Basov, D N

2017-09-13

We investigated phonon-polaritons in hexagonal boron nitride-a naturally hyperbolic van der Waals material-by means of the scattering-type scanning near-field optical microscopy. Real-space nanoimages we have obtained detail how the polaritons are launched when the light incident on a thin hexagonal boron nitride slab is scattered by various intrinsic and extrinsic inhomogeneities, including sample edges, metallic nanodisks deposited on its top surface, random defects, and surface impurities. The scanned tip of the near-field microscope is itself a polariton launcher whose efficiency proves to be superior to all the other types of polariton launchers we studied. Our work may inform future development of polaritonic nanodevices as well as fundamental studies of collective modes in van der Waals materials.

Microwave-assisted boron and nitrogen co-doped reduced graphene oxide as a transparent conductive electrode

NASA Astrophysics Data System (ADS)

Umrao, Sima; Mishra, Himanshu; Srivastava, Anchal; Lee, Sungjoo

2017-07-01

A crystalline Boron (B)- and Nitrogen (N)-co-doped microwave-assisted reduced graphene oxide (BNMRGO) film was investigated as a potential transparent conducting electrode (TCE) material. X-ray diffraction results revealed the good crystallinity of the BNMRGO film, and the presence of a (0004) reflection plane indicated the formation of a few small domains of hexagonal boron nitride in the microwave assisted reduced graphene oxide (MRGO) sheets under the co-doping process. Raman and X-ray photoelectron spectroscopic results indicated a reduction of sp3 carbon centers upon co-doping. The ID/IG ratio decreased after co-doping from 0.89 to 0.24, indicating a low average defect density of ˜1.01 × 1010 cm-2. Optoelectronic characterization of the BNMRGO film on a glass substrate revealed a high optical transparency of 82% at 550 nm and a low sheet resistance (Rsh) of 355 Ω/sq, which was lower than that observed from the MRGO sheets (Rsh = 719 Ω/sq). BNMRGO provided a ratio between the direct conductivity (σdc) to the optical conductivity (σoc), that is, the figure of merit of a TCE material, of 5.96. Overall, this work paves the way toward developing a manufacturable TCE.

Nature of Bonding in Bowl-Like B36 Cluster Revisited: Concentric (6π+18π) Double Aromaticity and Reason for the Preference of a Hexagonal Hole in a Central Location.

PubMed

Li, Rui; You, Xue-Rui; Wang, Kang; Zhai, Hua-Jin

2018-05-04

The bowl-shaped C 6v B 36 cluster with a central hexagon hole is considered an ideal molecular model for low-dimensional boron-based nanosystems. Owing to the electron deficiency of boron, chemical bonding in the B 36 cluster is intriguing, complicated, and has remained elusive despite a couple of papers in the literature. Herein, a bonding analysis is given through canonical molecular orbitals (CMOs) and adaptive natural density partitioning (AdNDP), further aided by natural bond orbital (NBO) analysis and orbital composition calculations. The concerted computational data establish the idea of concentric double π aromaticity for the B 36 cluster, with inner 6π and outer 18π electron counting, which both conform to the (4n+2) Hückel rule. The updated bonding picture differs from existing knowledge of the system. A refined bonding model is also proposed for coronene, of which the B 36 cluster is an inorganic analogue. It is further shown that concentric double π aromaticity in the B 36 cluster is retained and spatially fixed, irrespective of the migration of the hexagonal hole; the latter process changes the system energetically. The hexagonal hole is a destabilizing factor for σ/π CMOs. The central hexagon hole affects substantially fewer CMOs, thus making the bowl-shaped C 6v B 36 cluster the global minimum. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anisotropic Effective Mass, Optical Property, and Enhanced Band Gap in BN/Phosphorene/BN Heterostructures.

PubMed

Hu, Tao; Hong, Jisang

2015-10-28

Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, the phosphorus has a trouble of degradation due to oxidation. Hereby, we propose that the electrical and optical anisotropic properties can be preserved by encapsulating into hexagonal boron nitride (h-BN). We found that the h-BN contributed to enhancing the band gap of the phosphorene layer. Comparing the band gap of the pristine phosphorene layer, the band gap of the phosphorene/BN(1ML) system was enhanced by 0.15 eV. It was further enhanced by 0.31 eV in the BN(1ML)/phosphorene/BN(1ML) trilayer structure. However, the band gap was not further enhanced when we increased the thickness of the h-BN layers even up to 4 MLs. Interestingly, the anisotropic effective mass and optical property were still preserved in BN/phosphorene/BN heterostructures. Overall, we predict that the capping of phosphorene by the h-BN layers can be an excellent solution to protect the intrinsic properties of the phosphorene.

Density functional studies of the defect-induced electronic structure modifications in bilayer boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-05-01

The van der Waals interaction-corrected density functional theory is used in this study to investigate the formation, energetic stability, and inter-layer cohesion in bilayer hexagonal boronitrene. The effect of inter-layer separation on the electronic structure is systematically investigated. The formation and energetic stability of intrinsic defects are also investigated at the equilibrium inter-layer separation. It is found that nonstoichiometric defects, and their complexes, that induce excess nitrogen or excess boron, in each case, are relatively more stable in the atmosphere that corresponds to the excess atomic species. The modifications of the electronic structure due to formation of complexes are also investigated. It is shown that van der Waals density functional theory gives an improved description of the cohesive properties but not the electronic structure in bilayer boronitrene compared to other functionals. We identify energetically favourable topological defects that retain the energy gap in the electronic structure, and discuss their implications for band gap engineering in low-n layer boronitrene insulators. The relative strengths and weaknesses of the functionals in predicting the properties of bilayer boronitrene are also discussed.

Recent advances in preparation, properties and device applications of two-dimensional h-BN and its vertical heterostructures

NASA Astrophysics Data System (ADS)

Yang, Huihui; Gao, Feng; Dai, Mingjin; Jia, Dechang; Zhou, Yu; Hu, Pingan

2017-03-01

Two-dimensional (2D) layered materials, such as graphene, hexagonal boron nitride (h-BN), molybdenum disulfide (MoS{}2 ), have attracted tremendous interest due to their atom-thickness structures and excellent physical properties. h-BN has predominant advantages as the dielectric substrate in FET devices due to its outstanding properties such as chemically inert surface, being free of dangling bonds and surface charge traps, especially the large-band-gap insulativity. h-BN involved vertical heterostructures have been widely exploited during the past few years. Such heterostructures adopting h-BN as dielectric layers exhibit enhanced electronic performance, and provide further possibilities for device engineering. Besides, a series of intriguing physical phenomena are observed in certain vertical heterostructures, such as superlattice potential induced replication of Dirac points, band gap tuning, Hofstadter butterfly states, gate-dependent pseudospin mixing. Herein we focus on the rapid developments of h-BN synthesis and fabrication of vertical heterostructures devices based on h-BN, and review the novel properties as well as the potential applications of the heterostructures composed of h-BN. Project supported by the National Natural Science Foundation of China (Nos. 61390502, 21373068), the National Basic Research Program of China (No. 2013CB632900), the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (No. 51521003), and the Self-Planned Task of State Key Laboratory of Robotics and System (No. SKLRS201607B).

Boron containing multilayer coatings and method of fabrication

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1997-09-23

Hard coatings are fabricated from multilayer boron/boron carbide, boron carbide/cubic boron nitride, and boron/boron nitride/boron carbide, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron and boron carbide used in forming the multilayers are formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/boron carbide, and boron carbide/cubic boron nitride is produced by depositing alternate layers of boron, cubic boron nitride or boron carbide, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be of a discrete or a blended or graded composition. 6 figs.

Boron containing multilayer coatings and method of fabrication

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1997-01-01

Hard coatings are fabricated from multilayer boron/boron carbide, boron carbide/cubic boron nitride, and boron/boron nitride/boron carbide, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron and boron carbide used in forming the multilayers are formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/boron carbide, and boron carbide/cubic boron nitride is produced by depositing alternate layers of boron, cubic boron nitride or boron carbide, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be of a discrete or a blended or graded composition.

APCVD hexagonal boron nitride thin films for passive near-junction thermal management of electronics

NASA Astrophysics Data System (ADS)

KC, Pratik; Rai, Amit; Ashton, Taylor S.; Moore, Arden L.

2017-12-01

The ability of graphene to serve as an ultrathin heat spreader has been previously demonstrated with impressive results. However, graphene is electrically conductive, making its use in contact with electronic devices problematic from a reliability and integration perspective. As an alternative, hexagonal boron nitride (h-BN) is a similarly structured material with large in-plane thermal conductivity but which possesses a wide band gap, thereby giving it potential to be utilized for directing contact, near-junction thermal management of electronics without shorting or the need for an insulating intermediate layer. In this work, the viability of using large area, continuous h-BN thin films as direct contact, near-junction heat spreaders for electronic devices is experimentally evaluated. Thin films of h-BN several square millimeters in size were synthesized via an atmospheric pressure chemical vapor deposition (APCVD) method that is both simple and scalable. These were subsequently transferred onto a microfabricated test device that simulated a multigate transistor while also allowing for measurements of the device temperature at various locations via precision resistance thermometry. Results showed that these large-area h-BN films with thicknesses of 77-125 nm are indeed capable of significantly lowering microdevice temperatures, with the best sample showing the presence of the h-BN thin film reduced the effective thermal resistance by 15.9% ± 4.6% compared to a bare microdevice at the same power density. Finally, finite element simulations of these experiments were utilized to estimate the thermal conductivity of the h-BN thin films and identify means by which further heat spreading performance gains could be attained.

Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis.

PubMed

Ontaneda, Jorge; Singh, Anjali; Waghmare, Umesh V; Grau-Crespo, Ricardo

2018-05-10

Monolayers of hexagonal boron nitride (h-BN) can in principle be identified by a Raman signature, consisting of an upshift in the frequency of the E 2g vibrational mode with respect to the bulk value, but the origin of this shift (intrinsic or support-induced) is still debated. Herein we use density functional theory calculations to investigate whether there is an intrinsic Raman shift in the h-BN monolayer in comparison with the bulk. There is universal agreement among all tested functionals in predicting the magnitude of the frequency shift upon a variation in the in-plane cell parameter. It is clear that a small in-plane contraction can explain the Raman peak upshift from bulk to monolayer. However, we show that the larger in-plane parameter in the bulk (compared to the monolayer) results from non-local correlation effects, which cannot be accounted for by local functionals or those with empirical dispersion corrections. Using a non-local-correlation functional, we then investigate the effect of finite temperatures on the Raman signature. We demonstrate that bulk h-BN thermally expands in the direction perpendicular to the layers, while the intralayer distances slightly contract, in agreement with observed experimental behavior. Interestingly, the difference in in-plane cell parameter between bulk and monolayer decreases with temperature, and becomes very small at room temperature. We conclude that the different thermal expansion of bulk and monolayer partially 'erases' the intrinsic Raman signature, accounting for its small magnitude in recent experiments on suspended samples.

Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis

NASA Astrophysics Data System (ADS)

Ontaneda, Jorge; Singh, Anjali; Waghmare, Umesh V.; Grau-Crespo, Ricardo

2018-05-01

Monolayers of hexagonal boron nitride (h-BN) can in principle be identified by a Raman signature, consisting of an upshift in the frequency of the E2g vibrational mode with respect to the bulk value, but the origin of this shift (intrinsic or support-induced) is still debated. Herein we use density functional theory calculations to investigate whether there is an intrinsic Raman shift in the h-BN monolayer in comparison with the bulk. There is universal agreement among all tested functionals in predicting the magnitude of the frequency shift upon a variation in the in-plane cell parameter. It is clear that a small in-plane contraction can explain the Raman peak upshift from bulk to monolayer. However, we show that the larger in-plane parameter in the bulk (compared to the monolayer) results from non-local correlation effects, which cannot be accounted for by local functionals or those with empirical dispersion corrections. Using a non-local-correlation functional, we then investigate the effect of finite temperatures on the Raman signature. We demonstrate that bulk h-BN thermally expands in the direction perpendicular to the layers, while the intralayer distances slightly contract, in agreement with observed experimental behavior. Interestingly, the difference in in-plane cell parameter between bulk and monolayer decreases with temperature, and becomes very small at room temperature. We conclude that the different thermal expansion of bulk and monolayer partially ‘erases’ the intrinsic Raman signature, accounting for its small magnitude in recent experiments on suspended samples.

Via Method for Lithography Free Contact and Preservation of 2D Materials.

PubMed

Telford, Evan J; Benyamini, Avishai; Rhodes, Daniel; Wang, Da; Jung, Younghun; Zangiabadi, Amirali; Watanabe, Kenji; Taniguchi, Takashi; Jia, Shuang; Barmak, Katayun; Pasupathy, Abhay N; Dean, Cory R; Hone, James

2018-02-14

Atomically thin 2D materials span the common components of electronic circuits as metals, semiconductors, and insulators, and can manifest correlated phases such as superconductivity, charge density waves, and magnetism. An ongoing challenge in the field is to incorporate these 2D materials into multilayer heterostructures with robust electrical contacts while preventing disorder and degradation. In particular, preserving and studying air-sensitive 2D materials has presented a significant challenge since they readily oxidize under atmospheric conditions. We report a new technique for contacting 2D materials, in which metal via contacts are integrated into flakes of insulating hexagonal boron nitride, and then placed onto the desired conducting 2D layer, avoiding direct lithographic patterning onto the 2D conductor. The metal contacts are planar with the bottom surface of the boron nitride and form robust contacts to multiple 2D materials. These structures protect air-sensitive 2D materials for months with no degradation in performance. This via contact technique will provide the capability to produce "atomic printed circuit boards" that can form the basis of more complex multilayer heterostructures.

Patterning monolayer graphene with zigzag edges on hexagonal boron nitride by anisotropic etching

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Guole; Wu, Shuang; Zhang, Tingting

2016-08-01

Graphene nanostructures are potential building blocks for nanoelectronic and spintronic devices. However, the production of monolayer graphene nanostructures with well-defined zigzag edges remains a challenge. In this paper, we report the patterning of monolayer graphene nanostructures with zigzag edges on hexagonal boron nitride (h-BN) substrates by an anisotropic etching technique. We found that hydrogen plasma etching of monolayer graphene on h-BN is highly anisotropic due to the inert and ultra-flat nature of the h-BN surface, resulting in zigzag edge formation. The as-fabricated zigzag-edged monolayer graphene nanoribbons (Z-GNRs) with widths below 30 nm show high carrier mobility and width-dependent energy gaps atmore » liquid helium temperature. These high quality Z-GNRs are thus ideal structures for exploring their valleytronic or spintronic properties.« less

Thermal transport and anharmonic phonons in strained monolayer hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Li, Shasha; Chen, Yue

2017-03-01

Thermal transport and phonon-phonon coupling in monolayer hexagonal boron nitride (h-BN) under equibiaxial strains are investigated from first principles. Phonon spectra at elevated temperatures have been calculated from perturbation theory using the third-order anharmonic force constants. The stiffening of the out-of-plane transverse acoustic mode (ZA) near the Brillouin zone center and the increase of acoustic phonon lifetimes are found to contribute to the dramatic increase of thermal transport in strained h-BN. The transverse optical mode (TO) at the K point, which was predicted to lead to mechanical failure of h-BN, is found to shift to lower frequencies at elevated temperatures under equibiaxial strains. The longitudinal and transverse acoustic modes exhibit broad phonon spectra under large strains in sharp contrast to the ZA mode, indicating strong in-plane phonon-phonon coupling.

Optical absorption by indirect excitons in a transition metal dichalcogenide/hexagonal boron nitride heterostructure

NASA Astrophysics Data System (ADS)

Brunetti, Matthew N.; Berman, Oleg L.; Kezerashvili, Roman Ya

2018-06-01

We study optical transitions in spatially indirect excitons in transition metal dichalcogenide (TMDC) heterostructures separated by an integer number of hexagonal boron nitride (h-BN) monolayers. By solving the Schrödinger equation with the Keldysh potential for a spatially indirect exciton, we obtain eigenfunctions and eigenenergies for the ground and excited states and study their dependence on the interlayer separation, controlled by varying the number of h-BN monolayers. The oscillator strength, optical absorption coefficient, and optical absorption factor, the fraction of incoming photons absorbed in the TMDC/h-BN/TMDC heterostructure, are evaluated and studied as a function of the interlayer separation. Using input parameters from the existing literature which give the largest and the smallest spatially indirect exciton binding energy, we provide upper and lower bounds on all quantities presented.

Macroscopic self-reorientation of interacting two-dimensional crystals

PubMed Central

Woods, C. R.; Withers, F.; Zhu, M. J.; Cao, Y.; Yu, G.; Kozikov, A.; Ben Shalom, M.; Morozov, S. V.; van Wijk, M. M.; Fasolino, A.; Katsnelson, M. I.; Watanabe, K.; Taniguchi, T.; Geim, A. K.; Mishchenko, A.; Novoselov, K. S.

2016-01-01

Microelectromechanical systems, which can be moved or rotated with nanometre precision, already find applications in such fields as radio-frequency electronics, micro-attenuators, sensors and many others. Especially interesting are those which allow fine control over the motion on the atomic scale because of self-alignment mechanisms and forces acting on the atomic level. Such machines can produce well-controlled movements as a reaction to small changes of the external parameters. Here we demonstrate that, for the system of graphene on hexagonal boron nitride, the interplay between the van der Waals and elastic energies results in graphene mechanically self-rotating towards the hexagonal boron nitride crystallographic directions. Such rotation is macroscopic (for graphene flakes of tens of micrometres the tangential movement can be on hundreds of nanometres) and can be used for reproducible manufacturing of aligned van der Waals heterostructures. PMID:26960435

Infrared hyperbolic metasurface based on nanostructured van der Waals materials

NASA Astrophysics Data System (ADS)

Li, Peining; Dolado, Irene; Alfaro-Mozaz, Francisco Javier; Casanova, Fèlix; Hueso, Luis E.; Liu, Song; Edgar, James H.; Nikitin, Alexey Y.; Vélez, Saül; Hillenbrand, Rainer

2018-02-01

Metasurfaces with strongly anisotropic optical properties can support deep subwavelength-scale confined electromagnetic waves (polaritons), which promise opportunities for controlling light in photonic and optoelectronic applications. We developed a mid-infrared hyperbolic metasurface by nanostructuring a thin layer of hexagonal boron nitride that supports deep subwavelength-scale phonon polaritons that propagate with in-plane hyperbolic dispersion. By applying an infrared nanoimaging technique, we visualize the concave (anomalous) wavefronts of a diverging polariton beam, which represent a landmark feature of hyperbolic polaritons. The results illustrate how near-field microscopy can be applied to reveal the exotic wavefronts of polaritons in anisotropic materials and demonstrate that nanostructured van der Waals materials can form a highly variable and compact platform for hyperbolic infrared metasurface devices and circuits.

Significantly Elevated Dielectric and Energy Storage Traits in Boron Nitride Filled Polymer Nano-composites with Topological Structure

NASA Astrophysics Data System (ADS)

Feng, Yefeng; Zhang, Jianxiong; Hu, Jianbing; Li, Shichun; Peng, Cheng

2018-03-01

Interface induced polarization has a prominent influence on dielectric properties of 0-3 type polymer based composites containing Si-based semi-conductors. The disadvantages of composites were higher dielectric loss, lower breakdown strength and energy storage density, although higher permittivity was achieved. In this work, dielectric, conductive, breakdown and energy storage properties of four nano-composites have been researched. Based on the cooperation of fluoropolymer/alpha-SiC layer and fluoropolymer/hexagonal-BN layer, it was confirmed constructing the heterogeneous layer-by-layer composite structure rather than homogeneous mono-layer structure could significantly reduce dielectric loss, promote breakdown strength and increase energy storage density. The former worked for a larger dielectric response and the latter layer acted as a robust barrier of charge carrier transfer. The best nano-composite could possess a permittivity of 43@100 Hz ( 3.3 times of polymer), loss of 0.07@100 Hz ( 37% of polymer), discharged energy density of 2.23 J/cm3@249 kV/cm ( 10 times of polymer) and discharged energy efficiency of 54%@249 kV/cm ( 5 times of polymer). This work might enlighten a facile route to achieve the promising high energy storage composite dielectrics by constructing the layer-by-layer topological structure.

Enhanced photon absorption in spiral nanostructured solar cells using layered 2D materials.

PubMed

Tahersima, Mohammad H; Sorger, Volker J

2015-08-28

Recent investigations of semiconducting two-dimensional (2D) transition metal dichalcogenides have provided evidence for strong light absorption relative to its thickness attributed to high density of states. Stacking a combination of metallic, insulating, and semiconducting 2D materials enables functional devices with atomic thicknesses. While photovoltaic cells based on 2D materials have been demonstrated, the reported absorption is still just a few percent of the incident light due to their sub-wavelength thickness leading to low cell efficiencies. Here we show that taking advantage of the mechanical flexibility of 2D materials by rolling a molybdenum disulfide (MoS(2))/graphene (Gr)/hexagonal boron nitride stack to a spiral solar cell allows for optical absorption up to 90%. The optical absorption of a 1 μm long hetero-material spiral cell consisting of the aforementioned hetero stack is about 50% stronger compared to a planar MoS(2) cell of the same thickness; although the volumetric absorbing material ratio is only 6%. A core-shell structure exhibits enhanced absorption and pronounced absorption peaks with respect to a spiral structure without metallic contacts. We anticipate these results to provide guidance for photonic structures that take advantage of the unique properties of 2D materials in solar energy conversion applications.

High electron mobility, quantum Hall effect and anomalous optical response in atomically thin InSe

NASA Astrophysics Data System (ADS)

Bandurin, Denis A.; Tyurnina, Anastasia V.; Yu, Geliang L.; Mishchenko, Artem; Zólyomi, Viktor; Morozov, Sergey V.; Kumar, Roshan Krishna; Gorbachev, Roman V.; Kudrynskyi, Zakhar R.; Pezzini, Sergio; Kovalyuk, Zakhar D.; Zeitler, Uli; Novoselov, Konstantin S.; Patanè, Amalia; Eaves, Laurence; Grigorieva, Irina V.; Fal'Ko, Vladimir I.; Geim, Andre K.; Cao, Yang

2017-03-01

A decade of intense research on two-dimensional (2D) atomic crystals has revealed that their properties can differ greatly from those of the parent compound. These differences are governed by changes in the band structure due to quantum confinement and are most profound if the underlying lattice symmetry changes. Here we report a high-quality 2D electron gas in few-layer InSe encapsulated in hexagonal boron nitride under an inert atmosphere. Carrier mobilities are found to exceed 103 cm2 V-1 s-1 and 104 cm2 V-1 s-1 at room and liquid-helium temperatures, respectively, allowing the observation of the fully developed quantum Hall effect. The conduction electrons occupy a single 2D subband and have a small effective mass. Photoluminescence spectroscopy reveals that the bandgap increases by more than 0.5 eV with decreasing the thickness from bulk to bilayer InSe. The band-edge optical response vanishes in monolayer InSe, which is attributed to the monolayer's mirror-plane symmetry. Encapsulated 2D InSe expands the family of graphene-like semiconductors and, in terms of quality, is competitive with atomically thin dichalcogenides and black phosphorus.

Plasma induced sp 2 to sp 3 transition in boron nitride

NASA Astrophysics Data System (ADS)

Zhang, J.; Cui, Q.; Li, X.; He, Z.; Li, W.; Ma, Y.; Guan, Q.; Gao, W.; Zou, G.

2004-12-01

The transition from sp 2 to sp 3 hybridization in boron nitride has been induced in plasma. Nano-crystals of cubic boron nitride (cBN) have been synthesized by direct current arc discharge method using hexagonal boron nitride (hBN) as the starting material. The characterization of the as-grown powders is carried out by X-ray diffraction, Fourier transform infrared spectroscopy and transmission electron microscopy. It has been shown that cBN and hBN grains with 20-60 nm in size co-exist in the powders. A reaction route of sublimation - re-hybridization - crystallization had been put forward to explain the mechanism of the hybridization transition and the growth of cBN by this method.

Freezing, melting and structure of ice in a hydrophilic nanopore.

PubMed

Moore, Emily B; de la Llave, Ezequiel; Welke, Kai; Scherlis, Damian A; Molinero, Valeria

2010-04-28

The nucleation, growth, structure and melting of ice in 3 nm diameter hydrophilic nanopores are studied through molecular dynamics simulations with the mW water model. The melting temperature of water in the pore was T(m)(pore) = 223 K, 51 K lower than the melting point of bulk water in the model and in excellent agreement with experimental determinations for 3 nm silica pores. Liquid and ice coexist in equilibrium at the melting point and down to temperatures as low as 180 K. Liquid water is located at the interface of the pore wall, increasing from one monolayer at the freezing temperature, T(f)(pore) = 195 K, to two monolayers a few degrees below T(m)(pore). Crystallization of ice in the pore occurs through homogeneous nucleation. At the freezing temperature, the critical nucleus contains approximately 75 to 100 molecules, with a radius of gyration similar to the radius of the pore. The critical nuclei contain features of both cubic and hexagonal ice, although stacking of hexagonal and cubic layers is not defined until the nuclei reach approximately 150 molecules. The structure of the confined ice is rich in stacking faults, in agreement with the interpretation of X-ray and neutron diffraction experiments. Though the presence of cubic layers is twice as prevalent as hexagonal ones, the crystals should not be considered defective Ic as sequences with more than three adjacent cubic (or hexagonal) layers are extremely rare in the confined ice.

Method of fabricating boron containing coatings

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1999-01-01

Hard coatings are fabricated from boron nitride, cubic boron nitride, and multilayer boron/cubic boron nitride, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron is formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/cubic boron nitride, is produced by depositing alternate layers of boron and cubic boron nitride, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be discrete or of a blended or graded composition.

Method of fabricating boron containing coatings

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1999-04-27

Hard coatings are fabricated from boron nitride, cubic boron nitride, and multilayer boron/cubic boron nitride, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron is formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/cubic boron nitride, is produced by depositing alternate layers of boron and cubic boron nitride, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be discrete or of a blended or graded composition. 3 figs.

Edge-Hydroxylated Boron Nitride Nanosheets as an Effective Additive to Improve the Thermal Response of Hydrogels.

PubMed

Xiao, Feng; Naficy, Sina; Casillas, Gilberto; Khan, Majharul H; Katkus, Tomas; Jiang, Lei; Liu, Huakun; Li, Huijun; Huang, Zhenguo

2015-11-25

Upon flowing hot steam over hexagonal boron nitride (h-BN) bulk powder, efficient exfoliation and hydroxylation of BN occur simultaneously. Through effective hydrogen bonding with water and N-isopropylacrylamide, edge-hydroxylated BN nanosheets dramatically improve the dimensional change and dye release of this temperature-sensitive hydrogel and thereby enhance its efficacy in bionic, soft robotic, and drug-delivery applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Permeability of two-dimensional graphene and hexagonal-boron nitride to hydrogen atom

NASA Astrophysics Data System (ADS)

Gupta, Varun; Kumar, Ankit; Ray, Nirat

2018-05-01

The permeability of atomic hydrogen in monolayer hexagonal Boron Nitride(h-BN) and graphene has been studied using first-principles density functional theory based simulations. For the specific cases of physisorption and chemisoroption, barrier heights are calculated using the nudged elastic band approach. We find that the barrier potential for physisorption through the ring is lower for graphene than h-BN. In the case of chemisorption, where the H atom passes through by making bonds with the atoms in the ring, the barrier potential for the graphene was found to be higher than that of h-BN. We conclude that the penetration of H atom with notable kinetic energy (<3eV) through physiosorption is more probable for graphene as compared to h-BN. Whereas through chemisorption, lower kinetic energy (>3eV) H-atoms have a higher chance to penetrate through h-BN than graphene.

Singlet and triplet trions in WS2 monolayer encapsulated in hexagonal boron nitride.

PubMed

Vaclavkova, D; Wyzula, J; Nogajewski, K; Bartos, M; Slobodeniuk, A O; Faugeras, C; Potemski, M; Molas, M R

2018-08-10

Embedding a WS 2 monolayer in flakes of hexagonal boron nitride allowed us to resolve and study the photoluminescence response due to both singlet and triplet states of negatively charged excitons (trions) in this atomically thin semiconductor. The energy separation between the singlet and triplet states has been found to be relatively small reflecting rather weak effects of the electron-electron exchange interaction for the trion triplet in a WS 2 monolayer, which involves two electrons with the same spin but from different valleys. Polarization-resolved experiments demonstrate that the helicity of the excitation light is better preserved in the emission spectrum of the triplet trion than in that of the singlet trion. Finally, the singlet (intravalley) trions are found to be observable even at ambient conditions whereas the emission due to the triplet (intervalley) trions is only efficient at low temperatures.

Localized emission from laser-irradiated defects in 2D hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Hou, Songyan; Danang Birowosuto, Muhammad; Umar, Saleem; Ange Anicet, Maurice; Yingjie Tay, Roland; Coquet, Philippe; Tay, Beng Kang; Wang, Hong; Teo, Edwin Hang Tong

2018-01-01

Hexagonal boron nitride (hBN) has emerged as a promising two-dimensional (2D) material for photonics device due to its large bandgap and flexibility in nanophotonic circuits. Here, we report bright and localized luminescent centres can be engineered in hBN monolayers and flakes using laser irradiation. The transition from hBN to cBN emerges in laser irradiated hBN large monolayers while is absent in processed hBN flakes. Remarkably, the colour centres in hBN flakes exhibit room temperature cleaner single photon emissions with g 2(0) ranging from 0.20 to 0.42, a narrower line width of 1.4 nm and higher brightness compared with monolayers. Our results pave the way to engineering deterministic defects in hBN induced by laser pulse and show great prospect for application of defects in hBN used as nano-size light source in photonics.

Optical spectroscopy and photo modification of individual single-photon emitters in hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Jayakumar, Harishankar; Shotan, Zav; Considine, Christopher; Mazkoit, Mažena; Fedder, Helmut; Wrachtrup, Joerg; Alkauskas, Audrius; Doherty, Marcus; Menon, Vinod; Meriles, Carlos

Fluorescent defects recently observed under ambient conditions in hexagonal boron nitride (h-BN) promise to open novel opportunities for the implementation of on-chip photonic devices that rely on identical photons from single emitters. Here we report on the room temperature photo-luminescence dynamics of individual emitters in multilayer h-BN flakes exposed to blue laser light. Comparison of optical spectra recorded at successive times reveals considerable spectral diffusion, possibly the result of slowly fluctuating, trapped-carrier-induced stark shifts. Large spectral jumps - reaching up to 100 nm - followed by bleaching are observed in most cases upon prolonged exposure to blue light, an indication of one-directional, photo-chemical changes likely taking place on the flake surface. Remarkably, only a fraction of the observed emitters also fluoresces on green illumination suggesting a more complex optical excitation dynamics than previously anticipated and raising questions on the physical nature of the atomic defect at play.

Anomalous thermal conductivity of monolayer boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tabarraei, Alireza, E-mail: atabarra@uncc.edu; Wang, Xiaonan

In this paper, we use nonequilibrium molecular dynamics modeling to investigate the thermal properties of monolayer hexagonal boron nitride nanoribbons under uniaxial strain along their longitudinal axis. Our simulations predict that hexagonal boron nitride shows an anomalous thermal response to the applied uniaxial strain. Contrary to three dimensional materials, under uniaxial stretching, the thermal conductivity of boron nitride nanoribbons first increases rather than decreasing until it reaches its peak value and then starts decreasing. Under compressive strain, the thermal conductivity of monolayer boron nitride ribbons monolithically reduces rather than increasing. We use phonon spectrum and dispersion curves to investigate themore » mechanism responsible for the unexpected behavior. Our molecular dynamics modeling and density functional theory results show that application of longitudinal tensile strain leads to the reduction of the group velocities of longitudinal and transverse acoustic modes. Such a phonon softening mechanism acts to reduce the thermal conductivity of the nanoribbons. On the other hand, a significant increase in the group velocity (stiffening) of the flexural acoustic modes is observed, which counteracts the phonon softening effects of the longitudinal and transverse modes. The total thermal conductivity of the ribbons is a result of competition between these two mechanisms. At low tensile strain, the stiffening mechanism overcomes the softening mechanism which leads to an increase in the thermal conductivity. At higher tensile strain, the softening mechanism supersedes the stiffening and the thermal conductivity slightly reduces. Our simulations show that the decrease in the thermal conductivity under compressive strain is attributed to the formation of buckling defects which reduces the phonon mean free path.« less

Signatures of Phonon and Defect-Assisted Tunneling in Planar Metal-Hexagonal Boron Nitride-Graphene Junctions.

PubMed

Chandni, U; Watanabe, K; Taniguchi, T; Eisenstein, J P

2016-12-14

Electron tunneling spectroscopy measurements on van der Waals heterostructures consisting of metal and graphene (or graphite) electrodes separated by atomically thin hexagonal boron nitride tunnel barriers are reported. The tunneling conductance, dI/dV, at low voltages is relatively weak, with a strong enhancement reproducibly observed to occur at around |V| ≈ 50 mV. While the weak tunneling at low energies is attributed to the absence of substantial overlap, in momentum space, of the metal and graphene Fermi surfaces, the enhancement at higher energies signals the onset of inelastic processes in which phonons in the heterostructure provide the momentum necessary to link the Fermi surfaces. Pronounced peaks in the second derivative of the tunnel current, d 2 I/dV 2 , are observed at voltages where known phonon modes in the tunnel junction have a high density of states. In addition, features in the tunneling conductance attributed to single electron charging of nanometer-scale defects in the boron nitride are also observed in these devices. The small electronic density of states of graphene allows the charging spectra of these defect states to be electrostatically tuned, leading to "Coulomb diamonds" in the tunneling conductance.

Electronic properties of moire superlattice bands in layered two dimensional materials

NASA Astrophysics Data System (ADS)

Jung, Jeil

2014-03-01

When atomically thin two-dimensional materials are layered they often form incommensurate non-crystalline structures that exhibit long period moiré patterns when examined by scanning probes. In this talk, I will present a theoretical method which can be used to derive an effective Hamiltonian for these twisted van der Waals heterostructures using input from ab initio calculations performed on short-period crystalline structures. I will argue that the effective Hamiltonian can quantitatively describe the electronic properties of these layered systems for arbitrary twist angle and lattice constants. Applying this method to the important cases of graphene on graphene and graphene on hexagonal-boron nitride, I will present a series of experimentally observable quantities that can be extracted from their electronic structure, including their density of states and local density of states as a function of twist angle, and compare with available experiments. Work done in collaboration with Allan MacDonald, Shaffique Adam, Arnaud Raoux, Zhenhua Qiao, and Ashley DaSilva; and supported by the Singapore National Research Foundation Fellowship NRF-NRFF2012-01.

High-quality graphene flakes exfoliated on a flat hydrophobic polymer

NASA Astrophysics Data System (ADS)

Pedrinazzi, Paolo; Caridad, José M.; Mackenzie, David M. A.; Pizzocchero, Filippo; Gammelgaard, Lene; Jessen, Bjarke S.; Sordan, Roman; Booth, Timothy J.; Bøggild, Peter

2018-01-01

We show that graphene supported on a hydrophobic and flat polymer surface results in flakes with extremely low doping and strain as assessed by their Raman spectroscopic characteristics. We exemplify this technique by micromechanical exfoliation of graphene on flat poly(methylmethacrylate) layers and demonstrate Raman peak intensity ratios I(2D)/I(G) approaching 10, similar to pristine freestanding graphene. We verify that these features are not an artifact of optical interference effects occurring at the substrate: they are similarly observed when varying the substrate thickness and are maintained when the environment of the graphene flake is completely changed, by encapsulating preselected flakes between hexagonal boron nitride layers. The exfoliation of clean, pristine graphene layers directly on flat polymer substrates enables high performance, supported, and non-encapsulated graphene devices for flexible and transparent optoelectronic studies. We additionally show that the access to a clean and supported graphene source leads to high-quality van der Waals heterostructures and devices with reproducible carrier mobilities exceeding 50 000 cm2 V-1 s-1 at room temperature.

Order-disorder transition in a two-dimensional boron-carbon-nitride alloy

NASA Astrophysics Data System (ADS)

Lu, Jiong; Zhang, Kai; Feng Liu, Xin; Zhang, Han; Chien Sum, Tze; Castro Neto, Antonio H.; Loh, Kian Ping

2013-10-01

Two-dimensional boron-carbon-nitride materials exhibit a spectrum of electronic properties ranging from insulating to semimetallic, depending on their composition and geometry. Detailed experimental insights into the phase separation and ordering in such alloy are currently lacking. Here we report the mixing and demixing of boron-nitrogen and carbon phases on ruthenium (0001) and found that energetics for such processes are modified by the metal substrate. The brick-and-mortar patchwork observed of stoichiometrically percolated hexagonal boron-carbon-nitride domains surrounded by a network of segregated graphene nanoribbons can be described within the Blume-Emery-Griffiths model applied to a honeycomb lattice. The isostructural boron nitride and graphene assumes remarkable fluidity and can be exchanged entirely into one another by a catalytically assistant substitution. Visualizing the dynamics of phase separation at the atomic level provides the premise for enabling structural control in a two-dimensional network for broad nanotechnology applications.

Surface functionalization of hexagonal boron nitride and its effect on the structure and performance of composites

NASA Astrophysics Data System (ADS)

Jin, Wenqin; Zhang, Wei; Gao, Yuwen; Liang, Guozheng; Gu, Aijuan; Yuan, Li

2013-04-01

A new organized hexagonal boron nitride (OhBN) with significantly increased amount of amine groups was synthesized, and characterized by Fourier Transform Infrared (FTIR), X-ray Photoelectron Spectroscopy (XPS), Thermogravimetric (TG) analysis, UV-vis Transmittance Spectra, Transmission Electron Microscope (TEM) and the potentiometric titration. The content of amine groups for OhBN is about 5 times of that for original hexagonal boron nitride (hBN). Based on the preparation of OhBN, new composites consisting of OhBN and bismaleimide (BD) resin were developed, which show greatly improved integrated performance (including dynamic mechanical, dielectric and thermal properties) compared with BD resin and the hBN/BD composites. In the case of the OhBN/BD composite with 15 wt% OhBN, its storage modulus, dielectric loss, thermal conductivity and coefficient of thermal expansion are about 1.2, 0.56, 1.11 and 0.92 times of the corresponding values of hBN/BD composite, respectively; moreover, the glass transition temperature of the former is 15 °C higher than that of the latter. These interesting results suggest that the integrated performance of the composites is closely related to the surface nature of the fillers because the change in the surface nature not only varies the chemical structure, free volume and crosslinking density of the composite, but also determines the interfacial nature between inorganic fillers and the resin matrix. This investigation demonstrates that the method proposed herein provides a new approach to prepare organized inorganic fillers as well as corresponding composites with controlled structure and expected performances for cutting-edge industries.

Theoretical investigation of calcium-decorated β12 boron sheet for hydrogen storage

NASA Astrophysics Data System (ADS)

Tang, Xiao; Gu, Yuantong; Kou, Liangzhi

2018-03-01

From first-principles calculations based on density functional theory, we find that the recently synthesized β12 boron sheet is a perfect candidate for calcium-decoration and hydrogen storage application. In contrast to graphene where defects are required to capture Ca, the naturally formed hexagonal hollow ring in β12 boron sheet provides the ideal site for Ca adsorption, and up to 6H2 molecules for each Ca atom can be captured with a desirable binding energy of ∼0.2 eV/H2. The gravimetric hydrogen density for Ca decorated boron sheet can reach up to 8.92 wt%. From the electronic analysis, it is found that both the orbital hybridizations and polarization mechanism play significant roles in H2 adsorption and storage.

Dissolution and Characterization of Boron Nitride Nanotubes in Superacid.

PubMed

Kleinerman, Olga; Adnan, Mohammed; Marincel, Daniel M; Ma, Anson W K; Bengio, E Amram; Park, Cheol; Chu, Sang-Hyon; Pasquali, Matteo; Talmon, Yeshayahu

2017-12-19

Boron nitride nanotubes (BNNTs) are of interest for their unique combination of high tensile strength, high electrical resistivity, high neutron cross section, and low reactivity. The fastest route to employing these properties in composites and macroscopic articles is through solution processing. However, dispersing BNNTs without functionalization or use of a surfactant is challenging. We show here by cryogenic transmission electron microscopy that BNNTs spontaneously dissolve in chlorosulfonic acid as disentangled individual molecules. Electron energy loss spectroscopy of BNNTs dried from the solution confirms preservation of the sp 2 hybridization for boron and nitrogen, eliminating the possibility of BNNT functionalization or damage. The length and diameter of the BNNTs was statistically calculated to be ∼4.5 μm and ∼4 nm, respectively. Interestingly, bent or otherwise damaged BNNTs are filled by chlorosulfonic acid. Additionally, nanometer-sized synthesis byproducts, including boron nitride clusters, isolated single and multilayer hexagonal boron nitride, and boron particles, were identified. Dissolution in superacid provides a route for solution processing BNNTs without altering their chemical structure.

New Convex and Spherical Structures of Bare Boron Clusters

NASA Astrophysics Data System (ADS)

Boustani, Ihsan

1997-10-01

New stable structures of bare boron clusters can easily be obtained and constructed with the help of an "Aufbau Principle" suggested by a systematicab initioHF-SCF and direct CI study. It is concluded that boron cluster formation can be established by elemental units of pentagonal and hexagonal pyramids. New convex and small spherical clusters different from the classical known forms of boron crystal structures are obtained by a combination of both basic units. Convex structures simulate boron surfaces which can be considered as segments of open or closed spheres. Both convex clusters B16and B46have energies close to those of their conjugate quasi-planar clusters, which are relatively stable and can be considered to act as a calibration mark. The closed spherical clusters B12, B22, B32, and B42are less stable than the corresponding conjugated quasi-planar structures. As a consequence, highly stable spherical boron clusters can systematically be predicted when their conjugate quasi-planar clusters are determined and energies are compared.

Matrix Transformation in Boron Containing High-Temperature Co-Re-Cr Alloys

NASA Astrophysics Data System (ADS)

Strunz, Pavel; Mukherji, Debashis; Beran, Přemysl; Gilles, Ralph; Karge, Lukas; Hofmann, Michael; Hoelzel, Markus; Rösler, Joachim; Farkas, Gergely

2018-03-01

An addition of boron largely increases the ductility in polycrystalline high-temperature Co-Re alloys. Therefore, the effect of boron on the alloy structural characteristics is of high importance for the stability of the matrix at operational temperatures. Volume fractions of ɛ (hexagonal close-packed—hcp), γ (face-centered cubic—fcc) and σ (Cr2Re3 type) phases were measured at ambient and high temperatures (up to 1500 °C) for a boron-containing Co-17Re-23Cr alloy using neutron diffraction. The matrix phase undergoes an allotropic transformation from ɛ to γ structure at high temperatures, similar to pure cobalt and to the previously investigated, more complex Co-17Re-23Cr-1.2Ta-2.6C alloy. It was determined in this study that the transformation temperature depends on the boron content (0-1000 wt. ppm). Nevertheless, the transformation temperature did not change monotonically with the increase in the boron content but reached a minimum at approximately 200 ppm of boron. A probable reason is the interplay between the amount of boron in the matrix and the amount of σ phase, which binds hcp-stabilizing elements (Cr and Re). Moreover, borides were identified in alloys with high boron content.

Multi-functional carbon nanomaterials: Tailoring morphology for multidisciplinary applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dervishi, Enkeleda

2015-05-14

Carbon based nanomaterials are being developed to have many new properties and applications. Graphene, is a mono-layer 2D atomic thick structure formed from hexagons of carbon atoms bound together by sp^2hybrid bonds. A carbon nanotube (CNT) can be viewed as a sheet of graphene rolled up into a cylinder, usually 1-2 nanometers in diameter and a few microns thick. A few applications of graphene and carbon nanotubes include the development of Nanoelectronics, nanocomposite materials, Hydrogen storage and Li⁺ battery, etc.

Nearly temperature-independent ultraviolet light emission intensity of indirect excitons in hexagonal BN microcrystals

NASA Astrophysics Data System (ADS)

Chichibu, Shigefusa F.; Ishikawa, Youichi; Kominami, Hiroko; Hara, Kazuhiko

2018-02-01

The radiative performance of hexagonal boron nitride (h-BN) was assessed by the spatio-time-resolved luminescence measurements on its microcrystals (MCs) annealed in an O2 gas ambient. The MCs exhibited distinct deep ultraviolet luminescence peaks higher than 5.7 eV, although h-BN is an indirect bandgap semiconductor. The result indicates a strong interaction between the indirect excitons (iXs) and LO/TO (and LA/TA) phonons at T points of the Brillouin zone. Such phonon replicas of free iXs and a luminescence band at 4.0 eV showed negligible thermal quenching, most probably assisted by the strong excitonic effect, enhanced phonon scattering, and formation of a surface BxOy layer that prevents excitons from surface recombination by the thermal excitation. Conversely, the luminescence band between 5.1 and 5.7 eV, which seems to consist of LO/TO phonon replicas of iXs localized at a certain structural singularity that are further scattered by multiple TO phonons at K points and another two emission peaks that originate from the singularity, showed the thermal quenching. In analogy with GaN and AlGaN, cation vacancy complexes most likely act as native nonradiative recombination centers (NRCs). In the present case, vacancy complexes that contain a boron vacancy (VB), such as divacancies with a nitrogen vacancy (VN), VBVN, are certain to act as NRCs. In this instance, iXs delocalized from the singularity are likely either captured by NRCs or the origin of the 4.0 eV-band; the latter is assigned to originate from a carbon on the N site or a complex between VB and an oxygen on the N site.

Surfactant exfoliated 2D hexagonal Boron Nitride (2D-hBN) explored as a potential electrochemical sensor for dopamine: surfactants significantly influence sensor capabilities.

PubMed

Khan, Aamar F; Brownson, Dale A C; Foster, Christopher W; Smith, Graham C; Banks, Craig E

2017-05-21

Surfactant exfoliated 2D hexagonal Boron Nitride (2D-hBN) nanosheets are explored as a potential electrochemical sensing platform and evaluated towards the electroanalytical sensing of dopamine (DA) in the presence of the common interferents, ascorbic acid (AA) and uric acid (UA). Surfactant exfoliated 2D-hBN nanosheets (2-4 layers) fabricated using sodium cholate in aqueous media are electrically wired via a drop-casting modification process onto disposable screen-printed graphite electrodes (SPEs). We critically evaluate the performance of these 2D-hBN modified SPEs and demonstrate the effect of 'mass coverage' towards the detection of DA, AA and UA. Previous studies utilising surfactant-free (pristine) 2D-hBN modified SPEs have shown a beneficial effect towards the detection of DA, AA and UA when compared to the underlying/unmodified graphite-based electrode. We show that the fabrication route utilised to prepare 2D-hBN is a vital experimental consideration, such that the beneficial effect previously reported is considerably reduced when surfactant exfoliated 2D-hBN is utilised. We demonstrate for the first time, through implementation of control experiments in the form of surfactant modified graphite electrodes, that sodium cholate is a major contributing factor to the aforementioned detrimental behaviour. The significance here is not in the material per se, but the fundamental knowledge of the surfactant and surface coverage changing the electrochemical properties of the material under investigation. Given the wide variety of ionic and non-ionic surfactants that are utilised in the manufacture of novel 2D materials, the control experiments reported herein need to be performed in order to de-convolute the electrochemical response and effectively evaluate the 'underlying surface/surfactant/2D materials' electrocatalytic contribution.

Hybrid surface-phonon-plasmon polariton modes in graphene/monolayer h-BN heterostructures.

PubMed

Brar, Victor W; Jang, Min Seok; Sherrott, Michelle; Kim, Seyoon; Lopez, Josue J; Kim, Laura B; Choi, Mansoo; Atwater, Harry

2014-07-09

Infrared transmission measurements reveal the hybridization of graphene plasmons and the phonons in a monolayer hexagonal boron nitride (h-BN) sheet. Frequency-wavevector dispersion relations of the electromagnetically coupled graphene plasmon/h-BN phonon modes are derived from measurement of nanoresonators with widths varying from 30 to 300 nm. It is shown that the graphene plasmon mode is split into two distinct optical modes that display an anticrossing behavior near the energy of the h-BN optical phonon at 1370 cm(-1). We explain this behavior as a classical electromagnetic strong-coupling with the highly confined near fields of the graphene plasmons allowing for hybridization with the phonons of the atomically thin h-BN layer to create two clearly separated new surface-phonon-plasmon-polariton (SPPP) modes.

Chemical free device fabrication of two dimensional van der Waals materials based transistors by using one-off stamping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Young Tack, E-mail: 023273@kist.re.kr, E-mail: stunalren@gmail.com; Choi, Won Kook; Materials and Life Science Research Division, Korea Institute of Science and Technology

We report on a chemical free one-off imprinting method to fabricate two dimensional (2D) van der Waals (vdWs) materials based transistors. Such one-off imprinting technique is the simplest and effective way to prevent unintentional chemical reaction or damage of 2D vdWs active channel during device fabrication process. 2D MoS{sub 2} nanosheets based transistors with a hexagonal-boron-nitride (h-BN) passivation layer, prepared by one-off imprinting, show negligible variations of transfer characteristics after chemical vapor deposition process. In addition, this method enables the fabrication of all 2D MoS{sub 2} transistors consisting of h-BN gate insulator, and graphene source/drain and gate electrodes without anymore » chemical damage.« less

Fully inkjet-printed two-dimensional material field-effect heterojunctions for wearable and textile electronics.

PubMed

Carey, Tian; Cacovich, Stefania; Divitini, Giorgio; Ren, Jiesheng; Mansouri, Aida; Kim, Jong M; Wang, Chaoxia; Ducati, Caterina; Sordan, Roman; Torrisi, Felice

2017-10-31

Fully printed wearable electronics based on two-dimensional (2D) material heterojunction structures also known as heterostructures, such as field-effect transistors, require robust and reproducible printed multi-layer stacks consisting of active channel, dielectric and conductive contact layers. Solution processing of graphite and other layered materials provides low-cost inks enabling printed electronic devices, for example by inkjet printing. However, the limited quality of the 2D-material inks, the complexity of the layered arrangement, and the lack of a dielectric 2D-material ink able to operate at room temperature, under strain and after several washing cycles has impeded the fabrication of electronic devices on textile with fully printed 2D heterostructures. Here we demonstrate fully inkjet-printed 2D-material active heterostructures with graphene and hexagonal-boron nitride (h-BN) inks, and use them to fabricate all inkjet-printed flexible and washable field-effect transistors on textile, reaching a field-effect mobility of ~91 cm 2  V -1  s -1 , at low voltage (<5 V). This enables fully inkjet-printed electronic circuits, such as reprogrammable volatile memory cells, complementary inverters and OR logic gates.

All-optical control and super-resolution imaging of quantum emitters in layered materials.

PubMed

Kianinia, Mehran; Bradac, Carlo; Sontheimer, Bernd; Wang, Fan; Tran, Toan Trong; Nguyen, Minh; Kim, Sejeong; Xu, Zai-Quan; Jin, Dayong; Schell, Andreas W; Lobo, Charlene J; Aharonovich, Igor; Toth, Milos

2018-02-28

Layered van der Waals materials are emerging as compelling two-dimensional platforms for nanophotonics, polaritonics, valleytronics and spintronics, and have the potential to transform applications in sensing, imaging and quantum information processing. Among these, hexagonal boron nitride (hBN) is known to host ultra-bright, room-temperature quantum emitters, whose nature is yet to be fully understood. Here we present a set of measurements that give unique insight into the photophysical properties and level structure of hBN quantum emitters. Specifically, we report the existence of a class of hBN quantum emitters with a fast-decaying intermediate and a long-lived metastable state accessible from the first excited electronic state. Furthermore, by means of a two-laser repumping scheme, we show an enhanced photoluminescence and emission intensity, which can be utilized to realize a new modality of far-field super-resolution imaging. Our findings expand current understanding of quantum emitters in hBN and show new potential ways of harnessing their nonlinear optical properties in sub-diffraction nanoscopy.

Fabry-Pérot Interference in Gapped Bilayer Graphene with Broken Anti-Klein Tunneling

NASA Astrophysics Data System (ADS)

Varlet, Anastasia; Liu, Ming-Hao; Krueckl, Viktor; Bischoff, Dominik; Simonet, Pauline; Watanabe, Kenji; Taniguchi, Takashi; Richter, Klaus; Ensslin, Klaus; Ihn, Thomas

2014-09-01

We report the experimental observation of Fabry-Pérot interference in the conductance of a gate-defined cavity in a dual-gated bilayer graphene device. The high quality of the bilayer graphene flake, combined with the device's electrical robustness provided by the encapsulation between two hexagonal boron nitride layers, allows us to observe ballistic phase-coherent transport through a 1-μm-long cavity. We confirm the origin of the observed interference pattern by comparing to tight-binding calculations accounting for the gate-tunable band gap. The good agreement between experiment and theory, free of tuning parameters, further verifies that a gap opens in our device. The gap is shown to destroy the perfect reflection for electrons traversing the barrier with normal incidence (anti-Klein tunneling). The broken anti-Klein tunneling implies that the Berry phase, which is found to vary with the gate voltages, is always involved in the Fabry-Pérot oscillations regardless of the magnetic field, in sharp contrast with single-layer graphene.

Effect of the Graded-Gap Layer Composition on the Formation of n + -n - -p Structures in Boron-Implanted Heteroepitaxial Cd x Hg1- x Te Layers

NASA Astrophysics Data System (ADS)

Talipov, N. Kh.; Voitsekhovskii, А. V.; Grigor'ev, D. V.

2014-07-01

Processes of formation of n + -n--p-structures in boron-implanted heteroepitaxial (HEL) CdxHg1-xTe (CMT) layers of p-type grown by molecular beam epitaxy (HEL CMT MBE) with different compositions of the upper graded-gap layer are studied. It is shown that the surface composition (xs) of HEL CMT MBE significantly affects both the electrical parameters of the implanted layer and the spatial distribution of radiation defects of donor type. For HEL CMT MBE with the small surface composition xs = 0.22-0.33, it is found that the layer electron concentration (Ns) is decreased after saturation with accumulation of radiation defects, as the dose of B+ ions is increased in the range of D = 1ṡ1011-3ṡ1015 сm-2. An increase of the surface composition up to xs = 0.49-0.56 results in a significant decrease in Ns and a disappearance of the saturation of concentration in the whole dose range. The value of Ns monotonically increases with the energy (E) of boron ions and composition xs. It is found that for B+-ion energies E = 20-100 keV, the depth of the surface n + -layer increases with increasing energy and exceeds the total projected path of boron ions. However, in the energy range E = 100-150 keV, the depth of n+-layer stops increasing with the increase of the surface composition. The depth (dn) of a lightly doped n--layer monotonically decreases with increasing energy of boron ions in the entire range of E = 20-150 keV. With increasing dose (D) of B+ ions in the interval D = 1ṡ1014-1ṡ1015сm-2, deep n--layers with dn = 4-5 μm are formed only in the HEL CMT MBE with xs = 0.22-0.33. For the samples with xs = 0.49-0.56, the depth changes in the interval dn = 1.5-2.5 μm. At D ≤ 3ṡ1013сm-2, n + -n--p-structure is not formed for all surface compositions, if implantation is performed at room temperature. However, implantation at T = 130°C leads to the formation of a deep n--layer. Planar photodiodes with the n-p-junction area of A = 35×35 μm2 made on the basis of the boron implanted HEL CMT MBE with the surface compositions xs = 0.33-0.56 had high differential resistance Rd = 3ṡ106-107 Ω•cm2 and high product R0 Aeff = 9.0-20.7 Ω•cm2, where Aeff is the effective area of the charge carrier collecting. The values of Rd and R0 Aeff increased with increasing xs. It is found that the layer electron concentration in the boron implanted HEL CMT MBE with different surface compositions is increased, when exposed to normal conditions for a few years.

Fundamental insights into interfacial catalysis.

PubMed

Gong, Jinlong; Bao, Xinhe

2017-04-03

Surface and interfacial catalysis plays a vital role in chemical industries, electrochemistry and photochemical reactions. The challenges of modern chemistry are to optimize the chemical reaction processes and understand the detailed mechanism of chemical reactions. Since the early 1960s, the foundation of surface science systems has allowed the study of surface and interfacial phenomena on atomic/molecular level, and thus brought a number of significant developments to fundamental and technological processes, such as catalysis, material science and biochemistry, just to name a few. This themed issue describes the recent advances and developments in the fundamental understanding of surface and interfacial catalysis, encompassing areas of knowledge from metal to metal oxide, carbide, graphene, hexagonal boron nitride, and transition metal dichalcogenides under ultrahigh vacuum conditions, as well as under realistic reaction conditions.

Phonon-Assisted Resonant Tunneling of Electrons in Graphene-Boron Nitride Transistors.

PubMed

Vdovin, E E; Mishchenko, A; Greenaway, M T; Zhu, M J; Ghazaryan, D; Misra, A; Cao, Y; Morozov, S V; Makarovsky, O; Fromhold, T M; Patanè, A; Slotman, G J; Katsnelson, M I; Geim, A K; Novoselov, K S; Eaves, L

2016-05-06

We observe a series of sharp resonant features in the differential conductance of graphene-hexagonal boron nitride-graphene tunnel transistors over a wide range of bias voltages between 10 and 200 mV. We attribute them to electron tunneling assisted by the emission of phonons of well-defined energy. The bias voltages at which they occur are insensitive to the applied gate voltage and hence independent of the carrier densities in the graphene electrodes, so plasmonic effects can be ruled out. The phonon energies corresponding to the resonances are compared with the lattice dispersion curves of graphene-boron nitride heterostructures and are close to peaks in the single phonon density of states.

Consolidation of cubic and hexagonal boron nitride composites

DOE PAGES

Du Frane, W. L.; Cervantes, O.; Ellsworth, G. F.; ...

2015-12-08

When we Consolidate cubic boron nitride (cBN) it typically requires either a matrix of metal bearing materials that are undesirable for certain applications, or very high pressures within the cBN phase stability field that are prohibitive to manufacturing size and cost. We present new methodology for consolidating high stiffness cBN composites within a hexagonal boron nitride (hBN) matrix (15–25 vol%) with the aid of a binder phase (0–6 vol%) at moderate pressures (0.5–1.0 GPa) and temperatures (900–1300 °C). The composites are demonstrated to be highly tailorable with a range of compositions and resulting physical/mechanical properties. Ultrasonic measurements indicate that inmore » some cases these composites have elastic mechanical properties that exceed those of the highest strength steel alloys. Moreover, two methods were identified to prevent phase transformation of the metastable cBN phase into hBN during consolidation: 1. removal of hydrocarbons, and 2. increased cBN particle size. Lithium tetraborate worked better as a binder than boron oxide, aiding consolidation without enhancing cBN to hBN phase transformation kinetics. These powder mixtures consolidated within error of their full theoretical mass densities at 1 GPa, and had only slightly lower densities at 0.5 GPa. This shows potential for consolidation of these composites into larger parts, in a variety of shapes, at even lower pressures using more conventional manufacturing methods, such as hot-pressing.« less

Heavily boron-doped Si layers grown below 700 C by molecular beam epitaxy using a HBO2 source

NASA Technical Reports Server (NTRS)

Lin, T. L.; Fathauer, R. W.; Grunthaner, P. J.

1989-01-01

Boron doping in Si layers grown by molecular beam epitaxy (MBE) at 500-700 C using an HBO2 source has been studied. The maximum boron concentration without detectable oxygen incorporation for a given substrate temperature and Si growth rate has been determined using secondary-ion mass spectrometry analysis. Boron present in the Si MBE layers grown at 550-700 C was found to be electrically active, independent of the amount of oxygen incorporation. By reducing the Si growth rate, highly boron-doped layers have been grown at 600 C without detectable oxygen incorporation.

Surfaces and Interfaces of Magnetoelectric Oxide Systems

NASA Astrophysics Data System (ADS)

Cao, Shi

Magnetoelectric materials Cr2O3, hexagonal LuFeO 3 and YbFeO3 are studied in this thesis. The surface of chromia (Cr2O3) has a surface electronic structure distinct from the bulk. Our work shows that placing a Cr2O3 single crystal into a single domain state will result in net Cr2O 3 spin polarization at the boundary, even in the presence of a gold overlayer. From the Cr 2p3/2 X-ray magnetic circular dichroism signal, there is clear evidence of interface polarization with overlayers of both Pd and Pt on chromia. Cobalt thin films on Cr2O3(0001) show larger magnetic contrast in magnetic force microscopy indicating enhancement of perpendicular anisotropy induced by Cr2O3. The interfacial charge transfer between mechanically exfoliated few-layer graphene and Cr2O3(0001) surfaces has been investigated showing hole doping of few-layer graphene. Density functional theory calculations furthermore confirm the p-type nature of the graphene on top of chromia, and suggest that the chromia is able to induce a significant carrier spin polarization in the graphene layer. The surface termination and the nominal valence states for hexagonal LuFeO3 thin films were characterized. The stable surface terminates in a Fe-O layer. This is consistent wit the results of density functional calculations. The structural transition at about 1000 °C, from the hexagonal to the orthorhombic phase of LuFeO3, has been investigated in thin films of LuFeO3. The electronic structure for the conduction bands of both hexagonal and orthorhombic LuFeO3 thin films have been measured. Dramatic differences in both the spectral features and the linear dichroism are observed. We have also studied the ferrimagnetism in h-YbFeO3 by measuring the magnetization of Fe and Yb separately. The results directly show antialignment of magnetization of Yb and Fe ions in h-YbFeO3 at low temperature, with an exchange field on Yb of about 17 kOe. All ferrimagnets, by default, are magnetoelectrics. These findings directly demonstrate that ferrimagnetic order exists in h-YbFeO3.

Stable synthesis of few-layered boron nitride nanotubes by anodic arc discharge.

PubMed

Yeh, Yao-Wen; Raitses, Yevgeny; Koel, Bruce E; Yao, Nan

2017-06-08

Boron nitride nanotubes (BNNTs) were successfully synthesized by a dc arc discharge using a boron-rich anode as synthesis feedstock in a nitrogen gas environment at near atmospheric pressure. The synthesis was achieved independent of the cathode material suggesting that under such conditions the arc operates in so-called anodic mode with the anode material being consumed by evaporation due to the arc heating. To sustain the arc current by thermionic electron emission, the cathode has to be at sufficiently high temperature, which for a typical arc current density of ~100 A/cm 2 , is above the boron melting point (2350 K). With both electrodes made from the same boron-rich alloy, we found that the arc operation unstable due to frequent sticking between two molten electrodes and formation of molten droplets. Stable and reliable arc operation and arc synthesis were achieved with the boron-rich anode and the cathode made from a refractory metal which has a melting temperature above the melting point of boron. Ex-situ characterization of synthesized BNNTs with electron microscopy and Raman spectroscopy revealed that independent of the cathode material, the tubes are primarily single and double walled. The results also show evidence of root-growth of BNNTs produced in the arc discharge.

Evolution of Moiré Profiles from van der Waals Superstructures of Boron Nitride Nanosheets

PubMed Central

Liao, Yunlong; Cao, Wei; Connell, John W.; Chen, Zhongfang; Lin, Yi

2016-01-01

Two-dimensional (2D) van der Waals (vdW) superstructures, or vdW solids, are formed by the precise restacking of 2D nanosheet lattices, which can lead to unique physical and electronic properties that are not available in the parent nanosheets. Moiré patterns formed by the crystalline mismatch between adjacent nanosheets are the most direct features for vdW superstructures under microscopic imaging. In this article, transmission electron microscopy (TEM) observation of hexagonal Moiré patterns with unusually large micrometer-sized lateral areas (up to ~1 μm2) and periodicities (up to ~50 nm) from restacking of liquid exfoliated hexagonal boron nitride nanosheets (BNNSs) is reported. This observation was attributed to the long range crystallinity and the contaminant-free surfaces of these chemically inert nanosheets. Parallel-line-like Moiré fringes with similarly large periodicities were also observed. The simulations and experiments unambiguously revealed that the hexagonal patterns and the parallel fringes originated from the same rotationally mismatched vdW stacking of BNNSs and can be inter-converted by simply tilting the TEM specimen following designated directions. This finding may pave the way for further structural decoding of other 2D vdW superstructure systems with more complex Moiré images. PMID:27188697

Single Crystalline Film of Hexagonal Boron Nitride Atomic Monolayer by Controlling Nucleation Seeds and Domains

PubMed Central

Wu, Qinke; Park, Ji-Hoon; Park, Sangwoo; Jung, Seong Jun; Suh, Hwansoo; Park, Noejung; Wongwiriyapan, Winadda; Lee, Sungjoo; Lee, Young Hee; Song, Young Jae

2015-01-01

A monolayer hexagonal boron nitride (h-BN) film with controllable domain morphology and domain size (varying from less than 1 μm to more than 100 μm) with uniform crystalline orientation was successfully synthesized by chemical vapor deposition (CVD). The key for this extremely large single crystalline domain size of a h-BN monolayer is a decrease in the density of nucleation seeds by increasing the hydrogen gas flow during the h-BN growth. Moreover, the well-defined shape of h-BN flakes can be selectively grown by controlling Cu-annealing time under argon atmosphere prior to h-BN growth, which provides the h-BN shape varies in triangular, trapezoidal, hexagonal and complex shapes. The uniform crystalline orientation of h-BN from different nucleation seeds can be easily confirmed by polarized optical microscopy (POM) with a liquid crystal coating. Furthermore, seamlessly merged h-BN flakes without structural domain boundaries were evidence by a selective hydrogen etching after a full coverage of a h-BN film was achieved. This seamless large-area and atomic monolayer of single crystalline h-BN film can offer as an ideal and practical template of graphene-based devices or alternative two-dimensional materials for industrial applications with scalability. PMID:26537788

Single Crystalline Film of Hexagonal Boron Nitride Atomic Monolayer by Controlling Nucleation Seeds and Domains

NASA Astrophysics Data System (ADS)

Wu, Qinke; Park, Ji-Hoon; Park, Sangwoo; Jung, Seong Jun; Suh, Hwansoo; Park, Noejung; Wongwiriyapan, Winadda; Lee, Sungjoo; Lee, Young Hee; Song, Young Jae

2015-11-01

A monolayer hexagonal boron nitride (h-BN) film with controllable domain morphology and domain size (varying from less than 1 μm to more than 100 μm) with uniform crystalline orientation was successfully synthesized by chemical vapor deposition (CVD). The key for this extremely large single crystalline domain size of a h-BN monolayer is a decrease in the density of nucleation seeds by increasing the hydrogen gas flow during the h-BN growth. Moreover, the well-defined shape of h-BN flakes can be selectively grown by controlling Cu-annealing time under argon atmosphere prior to h-BN growth, which provides the h-BN shape varies in triangular, trapezoidal, hexagonal and complex shapes. The uniform crystalline orientation of h-BN from different nucleation seeds can be easily confirmed by polarized optical microscopy (POM) with a liquid crystal coating. Furthermore, seamlessly merged h-BN flakes without structural domain boundaries were evidence by a selective hydrogen etching after a full coverage of a h-BN film was achieved. This seamless large-area and atomic monolayer of single crystalline h-BN film can offer as an ideal and practical template of graphene-based devices or alternative two-dimensional materials for industrial applications with scalability.

A charge-density-wave oscillator based on an integrated tantalum disulfide-boron nitride-graphene device operating at room temperature.

PubMed

Liu, Guanxiong; Debnath, Bishwajit; Pope, Timothy R; Salguero, Tina T; Lake, Roger K; Balandin, Alexander A

2016-10-01

The charge-density-wave (CDW) phase is a macroscopic quantum state consisting of a periodic modulation of the electronic charge density accompanied by a periodic distortion of the atomic lattice in quasi-1D or layered 2D metallic crystals. Several layered transition metal dichalcogenides, including 1T-TaSe 2 , 1T-TaS 2 and 1T-TiSe 2 exhibit unusually high transition temperatures to different CDW symmetry-reducing phases. These transitions can be affected by the environmental conditions, film thickness and applied electric bias. However, device applications of these intriguing systems at room temperature or their integration with other 2D materials have not been explored. Here, we demonstrate room-temperature current switching driven by a voltage-controlled phase transition between CDW states in films of 1T-TaS 2 less than 10 nm thick. We exploit the transition between the nearly commensurate and the incommensurate CDW phases, which has a transition temperature of 350 K and gives an abrupt change in current accompanied by hysteresis. An integrated graphene transistor provides a voltage-tunable, matched, low-resistance load enabling precise voltage control of the circuit. The 1T-TaS 2 film is capped with hexagonal boron nitride to provide protection from oxidation. The integration of these three disparate 2D materials in a way that exploits the unique properties of each yields a simple, miniaturized, voltage-controlled oscillator suitable for a variety of practical applications.

Epitaxial hexagonal materials on IBAD-textured substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matias, Vladimir; Yung, Christopher

2017-08-15

A multilayer structure including a hexagonal epitaxial layer, such as GaN or other group III-nitride (III-N) semiconductors, a <111> oriented textured layer, and a non-single crystal substrate, and methods for making the same. The textured layer has a crystalline alignment preferably formed by the ion-beam assisted deposition (IBAD) texturing process and can be biaxially aligned. The in-plane crystalline texture of the textured layer is sufficiently low to allow growth of high quality hexagonal material, but can still be significantly greater than the required in-plane crystalline texture of the hexagonal material. The IBAD process enables low-cost, large-area, flexible metal foil substratesmore » to be used as potential alternatives to single-crystal sapphire and silicon for manufacture of electronic devices, enabling scaled-up roll-to-roll, sheet-to-sheet, or similar fabrication processes to be used. The user is able to choose a substrate for its mechanical and thermal properties, such as how well its coefficient of thermal expansion matches that of the hexagonal epitaxial layer, while choosing a textured layer that more closely lattice matches that layer.« less

Oxygen interaction with hexagonal OsB 2 at high temperature

DOE PAGES

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; ...

2016-08-10

The stability of ReB 2-type hexagonal OsB 2 powder at high temperature with oxygen presence has been studied by thermogravimetric analysis, differential scanning calorimetry, SEM, EDS, and high-temperature scanning transmission electron microscopy and XRD. Results of the study revealed that OsB 2 ceramics interact readily with oxygen present in reducing atmosphere, especially at high temperature and produces boric acid, which decomposes on the surface of the powder resulting in the formation of boron vacancies in the hexagonal OsB 2 lattice as well as changes in the stoichiometry of the compound. It was also found that under low oxygen partial pressure,more » sintering of OsB 2 powders occurred at a relatively low temperature (900°C). Finally, hexagonal OsB 2 ceramic is prone to oxidation and it is very sensitive to oxygen partial pressures, especially at high temperatures.« less

Oxygen interaction with hexagonal OsB 2 at high temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina

The stability of ReB 2-type hexagonal OsB 2 powder at high temperature with oxygen presence has been studied by thermogravimetric analysis, differential scanning calorimetry, SEM, EDS, and high-temperature scanning transmission electron microscopy and XRD. Results of the study revealed that OsB 2 ceramics interact readily with oxygen present in reducing atmosphere, especially at high temperature and produces boric acid, which decomposes on the surface of the powder resulting in the formation of boron vacancies in the hexagonal OsB 2 lattice as well as changes in the stoichiometry of the compound. It was also found that under low oxygen partial pressure,more » sintering of OsB 2 powders occurred at a relatively low temperature (900°C). Finally, hexagonal OsB 2 ceramic is prone to oxidation and it is very sensitive to oxygen partial pressures, especially at high temperatures.« less

Probing low-energy hyperbolic polaritons in van der Waals crystals with an electron microscope.

PubMed

Govyadinov, Alexander A; Konečná, Andrea; Chuvilin, Andrey; Vélez, Saül; Dolado, Irene; Nikitin, Alexey Y; Lopatin, Sergei; Casanova, Fèlix; Hueso, Luis E; Aizpurua, Javier; Hillenbrand, Rainer

2017-07-21

Van der Waals materials exhibit intriguing structural, electronic, and photonic properties. Electron energy loss spectroscopy within scanning transmission electron microscopy allows for nanoscale mapping of such properties. However, its detection is typically limited to energy losses in the eV range-too large for probing low-energy excitations such as phonons or mid-infrared plasmons. Here, we adapt a conventional instrument to probe energy loss down to 100 meV, and map phononic states in hexagonal boron nitride, a representative van der Waals material. The boron nitride spectra depend on the flake thickness and on the distance of the electron beam to the flake edges. To explain these observations, we developed a classical response theory that describes the interaction of fast electrons with (anisotropic) van der Waals slabs, revealing that the electron energy loss is dominated by excitation of hyperbolic phonon polaritons, and not of bulk phonons as often reported. Thus, our work is of fundamental importance for interpreting future low-energy loss spectra of van der Waals materials.Here the authors adapt a STEM-EELS system to probe energy loss down to 100 meV, and apply it to map phononic states in hexagonal boron nitride, revealing that the electron loss is dominated by hyperbolic phonon polaritons.

Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Fossard, Frédéric; Sponza, Lorenzo; Schué, Léonard; Attaccalite, Claudio; Ducastelle, François; Barjon, Julien; Loiseau, Annick

2017-09-01

Electron energy loss spectra were measured on hexagonal boron nitride single crystals employing an electron energy loss spectroscopic setup composed of an electron microscope equipped with a monochromator and an in-column filter. This setup provides high-quality energy-loss spectra and allows also for the imaging of energy-filtered diffraction patterns. These two acquisition modes provide complementary pieces of information, offering a global view of excitations in reciprocal space. As an example of the capabilities of the method we show how easily the core loss spectra at the K edges of boron and nitrogen can be measured and imaged. Low losses associated with interband and/or plasmon excitations are also measured. This energy range allows us to illustrate that our method provides results whose quality is comparable to that obtained from nonresonant x-ray inelastic scattering but with advantageous specificities such as an enhanced sensitivity at low q and a much greater simplicity and versatility that make it well adapted to the study of two-dimensional materials and related heterostructures. Finally, by comparing theoretical calculations to our measures, we are able to relate the range of applicability of ab initio calculations to the anisotropy of the sample and assess the level of approximation required for a proper simulation of our acquisition method.

Engineering p-n junctions and bandgap tuning of InSe nanolayers by controlled oxidation

NASA Astrophysics Data System (ADS)

Balakrishnan, Nilanthy; Kudrynskyi, Zakhar R.; Smith, Emily F.; Fay, Michael W.; Makarovsky, Oleg; Kovalyuk, Zakhar D.; Eaves, Laurence; Beton, Peter H.; Patanè, Amalia

2017-06-01

Exploitation of two-dimensional (2D) van der Waals (vdW) crystals can be hindered by the deterioration of the crystal surface over time due to oxidation. On the other hand, the existence of a stable oxide at room temperature can offer prospects for several applications. Here we report on the chemical reactivity of γ-InSe, a recent addition to the family of 2D vdW crystals. We demonstrate that, unlike other 2D materials, InSe nanolayers can be chemically stable under ambient conditions. However, both thermal- and photo-annealing in air induces the oxidation of the InSe surface, which converts a few surface layers of InSe into In2O3, thus forming an InSe/In2O3 heterostructure with distinct and interesting electronic properties. The oxidation can be activated in selected areas of the flake by laser writing or prevented by capping the InSe surface with an exfoliated flake of hexagonal boron nitride. We exploit the controlled oxidation of p-InSe to fabricate p-InSe/n-In2O3 junction diodes with room temperature electroluminescence and spectral response from the near-infrared to the visible and near-ultraviolet ranges. These findings reveal the limits and potential of thermal- and photo-oxidation of InSe in future technologies.

Manipulation of enhanced absorption with tilted hexagonal boron nitride slabs

NASA Astrophysics Data System (ADS)

Wu, Xiaohu; Fu, Ceji

2018-04-01

The wavevector of electromagnetic wave propagation in a hexagonal boron nitride (hBN) slab can be controlled by tilting its optical axis. This property can be used to manipulate the absorption in a hBN slab. By carefully analyzing the dependence of the absorptivity of a thin hBN slab on the tilted angle of its optical axis, we propose a structure that can realize great absorptivity enhancement in a band by stacking hBN slabs of different tilted angles. Our numerical results show that the absorptivity of a structure made of 91 stacked hBN slabs can be achieved higher than 0.94 in the wavenumber range from 1367 to 1580 cm-1 when the tilted angles of the slabs are properly arranged. The strong absorption is attributed to the combination of impedance matching at the slab interfaces and enlarged wavevectors in the slabs. This work reveals a novel way to realize strong absorption with anisotropic materials for applications in areas such as thermal radiative energy harvesting and conversion.

Preparation of high-content hexagonal boron nitride composite film and characterization of atomic oxygen erosion resistance

NASA Astrophysics Data System (ADS)

Zhang, Yu; Li, Min; Gu, Yizhuo; Wang, Shaokai; Zhang, Zuoguang

2017-04-01

Space aircrafts circling in low earth orbit are suffered from highly reactive atomic oxygen (AO). To shield AO, a flexible thin film with 80 wt.% hexagonal boron nitride (h-BN) and h-BN/epoxy film were fabricated through vacuum filtration and adding nanofibrillated cellulose fibers. H-BN nanosheets were hydroxylated for enhancing interaction in the films. Mass loss and erosion yield at accumulated AO fluence about 3.04 × 1020 atoms/cm2 were adopted to evaluate the AO resistance properties of the films. A carpet-like rough surface, chemical oxidations and change in crystal structure of h-BN were found after AO treatment, and the degrading mechanism was proposed. The mass loss and erosion yield under AO attack were compared between h-BN film and h-BN/epoxy film, and the comparison was also done for various types of shielding AO materials. Excellent AO resistance property of h-BN film is shown, and the reasons are analyzed.

Temperature Dependence of Wavelength Selectable Zero-Phonon Emission from Single Defects in Hexagonal Boron Nitride.

PubMed

Jungwirth, Nicholas R; Calderon, Brian; Ji, Yanxin; Spencer, Michael G; Flatté, Michael E; Fuchs, Gregory D

2016-10-12

We investigate the distribution and temperature-dependent optical properties of sharp, zero-phonon emission from defect-based single photon sources in multilayer hexagonal boron nitride (h-BN) flakes. We observe sharp emission lines from optically active defects distributed across an energy range that exceeds 500 meV. Spectrally resolved photon-correlation measurements verify single photon emission, even when multiple emission lines are simultaneously excited within the same h-BN flake. We also present a detailed study of the temperature-dependent line width, spectral energy shift, and intensity for two different zero-phonon lines centered at 575 and 682 nm, which reveals a nearly identical temperature dependence despite a large difference in transition energy. Our temperature-dependent results are well described by a lattice vibration model that considers piezoelectric coupling to in-plane phonons. Finally, polarization spectroscopy measurements suggest that whereas the 575 nm emission line is directly excited by 532 nm excitation, the 682 nm line is excited indirectly.

Room temperature single photon source using fiber-integrated hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Vogl, Tobias; Lu, Yuerui; Lam, Ping Koy

2017-07-01

Single photons are a key resource for quantum optics and optical quantum information processing. The integration of scalable room temperature quantum emitters into photonic circuits remains to be a technical challenge. Here we utilize a defect center in hexagonal boron nitride (hBN) attached by Van der Waals force onto a multimode fiber as a single photon source. We perform an optical characterization of the source in terms of spectrum, state lifetime, power saturation and photostability. A special feature of our source is that it allows for easy switching between fiber-coupled and free space single photon generation modes. In order to prove the quantum nature of the emission we measure the second-order correlation function {{g}(2)}≤ft(τ \\right) . For both fiber-coupled and free space emission, the {{g}(2)}≤ft(τ \\right) dips below 0.5 indicating operation in the single photon regime. The results so far demonstrate the feasibility of 2D material single photon sources for scalable photonic quantum information processing.

Antenna-coupled photon emission from hexagonal boron nitride tunnel junctions.

PubMed

Parzefall, M; Bharadwaj, P; Jain, A; Taniguchi, T; Watanabe, K; Novotny, L

2015-12-01

The ultrafast conversion of electrical signals to optical signals at the nanoscale is of fundamental interest for data processing, telecommunication and optical interconnects. However, the modulation bandwidths of semiconductor light-emitting diodes are limited by the spontaneous recombination rate of electron-hole pairs, and the footprint of electrically driven ultrafast lasers is too large for practical on-chip integration. A metal-insulator-metal tunnel junction approaches the ultimate size limit of electronic devices and its operating speed is fundamentally limited only by the tunnelling time. Here, we study the conversion of electrons (localized in vertical gold-hexagonal boron nitride-gold tunnel junctions) to free-space photons, mediated by resonant slot antennas. Optical antennas efficiently bridge the size mismatch between nanoscale volumes and far-field radiation and strongly enhance the electron-photon conversion efficiency. We achieve polarized, directional and resonantly enhanced light emission from inelastic electron tunnelling and establish a novel platform for studying the interaction of electrons with strongly localized electromagnetic fields.

Defect-selective dry etching for quick and easy probing of hexagonal boron nitride domains.

PubMed

Wu, Qinke; Lee, Joohyun; Park, Sangwoo; Woo, Hwi Je; Lee, Sungjoo; Song, Young Jae

2018-03-23

In this study, we demonstrate a new method to selectively etch the point defects or the boundaries of as-grown hexagonal boron nitride (hBN) films and flakes in situ on copper substrates using hydrogen and argon gases. The initial quality of the chemical vapor deposition-grown hBN films and flakes was confirmed by UV-vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy. Different gas flow ratios of Ar/H 2 were then employed to etch the same quality of samples and it was found that etching with hydrogen starts from the point defects and grows epitaxially, which helps in confirming crystalline orientations. However, etching with argon is sensitive to line defects (boundaries) and helps in visualizing the domain size. Finally, based on this defect-selective dry etching technique, it could be visualized that the domains of a polycrystalline hBN monolayer merged together with many parts, even with those that grew from a single nucleation seed.

Defect-selective dry etching for quick and easy probing of hexagonal boron nitride domains

NASA Astrophysics Data System (ADS)

Wu, Qinke; Lee, Joohyun; Park, Sangwoo; Woo, Hwi Je; Lee, Sungjoo; Song, Young Jae

2018-03-01

In this study, we demonstrate a new method to selectively etch the point defects or the boundaries of as-grown hexagonal boron nitride (hBN) films and flakes in situ on copper substrates using hydrogen and argon gases. The initial quality of the chemical vapor deposition-grown hBN films and flakes was confirmed by UV-vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy. Different gas flow ratios of Ar/H2 were then employed to etch the same quality of samples and it was found that etching with hydrogen starts from the point defects and grows epitaxially, which helps in confirming crystalline orientations. However, etching with argon is sensitive to line defects (boundaries) and helps in visualizing the domain size. Finally, based on this defect-selective dry etching technique, it could be visualized that the domains of a polycrystalline hBN monolayer merged together with many parts, even with those that grew from a single nucleation seed.

Sintering time optimization on red photoluminescence properties of manganese-doped boron carbon oxynitride (BCNO:Mn) phosphor

NASA Astrophysics Data System (ADS)

Wahid Nuryadin, Bebeh; Suryani, Yayu; Yuliani, Yuli; Setiadji, Soni; Yeti Nuryantini, Ade; Iskandar, Ferry

2018-04-01

The effect of sintering time to the transient nature and optimization of red photoluminescence manganese-doped boron carbon oxynitride (BCNO:Mn) phosphor was investigated. The BCNO:Mn samples were synthesized using a facile urea-assisted combustion route involving boric acid, citric acid, manganese salt and urea. The optimized intensity of the dual peak emission at 420 nm (blue emission) and 630 nm (red emission) in the photoluminescence (PL) spectrum could be achieved by controlling the sintering time of the BCNO:Mn. The BCNO:Mn samples in high-crystalline form was found to be in a cubic and hexagonal structure. Based on the PL analysis, it is suggested that the BCNO:Mn symmetric band at 630 nm can be attributed to the 4T1(4G)—6A1(6S) transition absorption of Mn2+ ions into the hexagonal structure. Microstructure analysis showed an irregular and agglomerated shape of the BCNO:Mn sample.

Tunable thermal rectification in graphene/hexagonal boron nitride hybrid structures

NASA Astrophysics Data System (ADS)

Chen, Xue-Kun; Hu, Ji-Wen; Wu, Xi-Jun; Jia, Peng; Peng, Zhi-Hua; Chen, Ke-Qiu

2018-02-01

Using non-equilibrium molecular dynamics simulations, we investigate thermal rectification (TR) in graphene/hexagonal boron nitride (h-BN) hybrid structures. Two different structural models, partially substituting graphene into h-BN (CBN) and partially substituting h-BN into graphene (BNC), are considered. It is found that CBN has a significant TR effect while that of BNC is very weak. The observed TR phenomenon can be attributed to the resonance effect between out-of-plane phonons of graphene and h-BN domains in the low-frequency region under negative temperature bias. In addition, the influences of ambient temperature, system size, defect number and substrate interaction are also studied to obtain the optimum conditions for TR. More importantly, the TR ratio could be effectively tuned through chemical and structural diversity. A moderate C/BN ratio and parallel arrangement are found to enhance the TR ratio. Detailed phonon spectra analyses are conducted to understand the thermal transport behavior. This work extends hybrid engineering to 2D materials for achieving TR.

Hexagonal boron nitride cover on Pt(111): a new route to tune molecule-metal interaction and metal-catalyzed reactions.

PubMed

Zhang, Yanhong; Weng, Xuefei; Li, Huan; Li, Haobo; Wei, Mingming; Xiao, Jianping; Liu, Zhi; Chen, Mingshu; Fu, Qiang; Bao, Xinhe

2015-05-13

In heterogeneous catalysis molecule-metal interaction is often modulated through structural modifications at the surface or under the surface of the metal catalyst. Here, we suggest an alternative way toward this modulation by placing a two-dimensional (2D) cover on the metal surface. As an illustration, CO adsorption on Pt(111) surface has been studied under 2D hexagonal boron nitride (h-BN) overlayer. Dynamic imaging data from surface electron microscopy and in situ surface spectroscopic results under near ambient pressure conditions confirm that CO molecules readily intercalate monolayer h-BN sheets on Pt(111) in CO atmosphere but desorb from the h-BN/Pt(111) interface even around room temperature in ultrahigh vacuum. The interaction of CO with Pt has been strongly weakened due to the confinement effect of the h-BN cover, and consequently, CO oxidation at the h-BN/Pt(111) interface was enhanced thanks to the alleviated CO poisoning effect.

Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation

NASA Astrophysics Data System (ADS)

Sajid, A.; Reimers, Jeffrey R.; Ford, Michael J.

2018-02-01

Key properties of nine possible defect sites in hexagonal boron nitride (h-BN), VN,VN -1,CN,VNO2 B,VNNB,VNCB,VBCN,VBCNS iN , and VNCBS iB , are predicted using density-functional theory and are corrected by applying results from high-level ab initio calculations. Observed h-BN electron-paramagnetic resonance signals at 22.4, 20.83, and 352.70 MHz are assigned to VN,CN, and VNO2 B , respectively, while the observed photoemission at 1.95 eV is assigned to VNCB . Detailed consideration of the available excited states, allowed spin-orbit couplings, zero-field splitting, and optical transitions is made for the two related defects VNCB and VBCN . VNCB is proposed for realizing long-lived quantum memory in h-BN. VBCN is predicted to have a triplet ground state, implying that spin initialization by optical means is feasible and suitable optical excitations are identified, making this defect of interest for possible quantum-qubit operations.

Synthesis of boron nitride nanostructures from catalyst of iron compounds via thermal chemical vapor deposition technique

NASA Astrophysics Data System (ADS)

da Silva, Wellington M.; Ribeiro, Hélio; Ferreira, Tiago H.; Ladeira, Luiz O.; Sousa, Edésia M. B.

2017-05-01

For the first time, patterned growth of boron nitride nanostructures (BNNs) is achieved by thermal chemical vapor deposition (TCVD) technique at 1150 °C using a mixture of FeS/Fe2O3 catalyst supported in alumina nanostructured, boron amorphous and ammonia (NH3) as reagent gas. This innovative catalyst was synthesized in our laboratory and systematically characterized. The materials were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), Thermogravimetric analysis (TGA), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The X-ray diffraction profile of the synthesized catalyst indicates the coexistence of three different crystal structures showing the presence of a cubic structure of iron oxide and iron sulfide besides the gamma alumina (γ) phase. The results show that boron nitride bamboo-like nanotubes (BNNTs) and hexagonal boron nitride (h-BN) nanosheets were successfully synthesized. Furthermore, the important contribution of this work is the manufacture of BNNs from FeS/Fe2O3 mixture.

Interface formation in monolayer graphene-boron nitride heterostructures.

PubMed

Sutter, P; Cortes, R; Lahiri, J; Sutter, E

2012-09-12

The ability to control the formation of interfaces between different materials has become one of the foundations of modern materials science. With the advent of two-dimensional (2D) crystals, low-dimensional equivalents of conventional interfaces can be envisioned: line boundaries separating different materials integrated in a single 2D sheet. Graphene and hexagonal boron nitride offer an attractive system from which to build such 2D heterostructures. They are isostructural, nearly lattice-matched, and isoelectronic, yet their different band structures promise interesting functional properties arising from their integration. Here, we use a combination of in situ microscopy techniques to study the growth and interface formation of monolayer graphene-boron nitride heterostructures on ruthenium. In a sequential chemical vapor deposition process, boron nitride grows preferentially at the edges of existing monolayer graphene domains, which can be exploited for synthesizing continuous 2D membranes of graphene embedded in boron nitride. High-temperature growth leads to intermixing near the interface, similar to interfacial alloying in conventional heterostructures. Using real-time microscopy, we identify processes that eliminate this intermixing and thus pave the way to graphene-boron nitride heterostructures with atomically sharp interfaces.

Observation of an all-boron fullerene

NASA Astrophysics Data System (ADS)

Zhai, Hua-Jin; Zhao, Ya-Fan; Li, Wei-Li; Chen, Qiang; Bai, Hui; Hu, Han-Shi; Piazza, Zachary A.; Tian, Wen-Juan; Lu, Hai-Gang; Wu, Yan-Bo; Mu, Yue-Wen; Wei, Guang-Feng; Liu, Zhi-Pan; Li, Jun; Li, Si-Dian; Wang, Lai-Sheng

2014-08-01

After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-based fullerene structures to be considered. So far, there has been no experimental evidence for these nanostructures, in spite of the progress made in theoretical investigations of their structure and bonding. Here we report the observation, by photoelectron spectroscopy, of an all-boron fullerene-like cage cluster at B40- with an extremely low electron-binding energy. Theoretical calculations show that this arises from a cage structure with a large energy gap, but that a quasi-planar isomer of B40- with two adjacent hexagonal holes is slightly more stable than the fullerene structure. In contrast, for neutral B40 the fullerene-like cage is calculated to be the most stable structure. The surface of the all-boron fullerene, bonded uniformly via delocalized σ and π bonds, is not perfectly smooth and exhibits unusual heptagonal faces, in contrast to C60 fullerene.

Observation of an all-boron fullerene.

PubMed

Zhai, Hua-Jin; Zhao, Ya-Fan; Li, Wei-Li; Chen, Qiang; Bai, Hui; Hu, Han-Shi; Piazza, Zachary A; Tian, Wen-Juan; Lu, Hai-Gang; Wu, Yan-Bo; Mu, Yue-Wen; Wei, Guang-Feng; Liu, Zhi-Pan; Li, Jun; Li, Si-Dian; Wang, Lai-Sheng

2014-08-01

After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-based fullerene structures to be considered. So far, there has been no experimental evidence for these nanostructures, in spite of the progress made in theoretical investigations of their structure and bonding. Here we report the observation, by photoelectron spectroscopy, of an all-boron fullerene-like cage cluster at B40(-) with an extremely low electron-binding energy. Theoretical calculations show that this arises from a cage structure with a large energy gap, but that a quasi-planar isomer of B40(-) with two adjacent hexagonal holes is slightly more stable than the fullerene structure. In contrast, for neutral B40 the fullerene-like cage is calculated to be the most stable structure. The surface of the all-boron fullerene, bonded uniformly via delocalized σ and π bonds, is not perfectly smooth and exhibits unusual heptagonal faces, in contrast to C60 fullerene.

Defect-Based Modulation of Optoelectronic Properties for Biofunctionalized Hexagonal Boron Nitride Nanosheets.

PubMed

Shakourian-Fard, Mehdi; Heydari, Hadiseh; Kamath, Ganesh

2017-09-06

Defect engineering potentially allows for dramatic tuning of the optoelectronic properties of two-dimensional materials. With the help of DFT calculations, a systematic study of DNA nucleobases adsorbed on hexagonal boron-nitride nanoflakes (h-BNNFs) with boron (V B ) and nitrogen (V N ) monovacancies is presented. The presence of V N and V B defects increases the binding strength of nucleobases by 9 and 34 kcal mol -1 , respectively (h-BNNF-V B >h-BNNF-V N >h-BNNF). A more negative electrostatic potential at the V B site makes the h-BNNF-V B surface more reactive than that of h-BNNF-V N , enabling H-bonding interactions with nucleobases. This binding energy difference affects the recovery time-a significant factor for developing DNA biosensors-of the surfaces in the order h-BNNF-V B >h-BNNF-V N >h-BNNF. The presence of V B and V N defect sites increases the electrical conductivity of the h-BNNF surface, V N defects being more favorable than V B sites. The blueshift of absorption peaks of the h-BNNF-V B -nucleobase complexes, in contrast to the redshift observed for h-BNNF-V N -nucleobase complexes, is attributed to their observed differences in binding energies, the HOMO-LUMO energy gap and other optoelectronic properties. Time-dependent DFT calculations reveal that the monovacant boron-nitride-sheet-nucleobase composites absorb visible light in the range 300-800 nm, thus making them suitable for light-emitting devices and sensing nucleobases in the visible region. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stable synthesis of few-layered boron nitride nanotubes by anodic arc discharge

DOE PAGES

Yeh, Yao-Wen; Raitses, Yevgeny; Koel, Bruce E.; ...

2017-06-08

Boron nitride nanotubes (BNNTs) were successfully synthesized by a dc arc discharge using a boron-rich anode as synthesis feedstock in a nitrogen gas environment at near atmospheric pressure. The synthesis was achieved independent of the cathode material suggesting that under such conditions the arc operates in so-called anodic mode with the anode material being consumed by evaporation due to the arc heating. In order to sustain the arc current by thermionic electron emission, the cathode has to be at sufficiently high temperature, which for a typical arc current density of similar to 100 A/cm 2, is above the boron meltingmore » point (2350 K). With both electrodes made from the same boron-rich alloy, we found that the arc operation unstable due to frequent sticking between two molten electrodes and formation of molten droplets. We achieved a stable and reliable arc operation and arc synthesis with the boronrich anode and the cathode made from a refractory metal which has a melting temperature above the melting point of boron. Ex-situ characterization of synthesized BNNTs with electron microscopy and Raman spectroscopy revealed that independent of the cathode material, the tubes are primarily single and double walled. Our results also show evidence of root-growth of BNNTs produced in the arc discharge.« less

Stable synthesis of few-layered boron nitride nanotubes by anodic arc discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yeh, Yao-Wen; Raitses, Yevgeny; Koel, Bruce E.

Boron nitride nanotubes (BNNTs) were successfully synthesized by a dc arc discharge using a boron-rich anode as synthesis feedstock in a nitrogen gas environment at near atmospheric pressure. The synthesis was achieved independent of the cathode material suggesting that under such conditions the arc operates in so-called anodic mode with the anode material being consumed by evaporation due to the arc heating. In order to sustain the arc current by thermionic electron emission, the cathode has to be at sufficiently high temperature, which for a typical arc current density of similar to 100 A/cm 2, is above the boron meltingmore » point (2350 K). With both electrodes made from the same boron-rich alloy, we found that the arc operation unstable due to frequent sticking between two molten electrodes and formation of molten droplets. We achieved a stable and reliable arc operation and arc synthesis with the boronrich anode and the cathode made from a refractory metal which has a melting temperature above the melting point of boron. Ex-situ characterization of synthesized BNNTs with electron microscopy and Raman spectroscopy revealed that independent of the cathode material, the tubes are primarily single and double walled. Our results also show evidence of root-growth of BNNTs produced in the arc discharge.« less

Giant spin-splitting and gap renormalization driven by trions in single-layer WS2/h-BN heterostructures

NASA Astrophysics Data System (ADS)

Katoch, Jyoti; Ulstrup, Søren; Koch, Roland J.; Moser, Simon; McCreary, Kathleen M.; Singh, Simranjeet; Xu, Jinsong; Jonker, Berend T.; Kawakami, Roland K.; Bostwick, Aaron; Rotenberg, Eli; Jozwiak, Chris

2018-04-01

In two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs), new electronic phenomena such as tunable bandgaps1-3 and strongly bound excitons and trions emerge from strong many-body effects4-6, beyond the spin and valley degrees of freedom induced by spin-orbit coupling and by lattice symmetry7. Combining single-layer TMDs with other 2D materials in van der Waals heterostructures offers an intriguing means of controlling the electronic properties through these many-body effects, by means of engineered interlayer interactions8-10. Here, we use micro-focused angle-resolved photoemission spectroscopy (microARPES) and in situ surface doping to manipulate the electronic structure of single-layer WS2 on hexagonal boron nitride (WS2/h-BN). Upon electron doping, we observe an unexpected giant renormalization of the spin-orbit splitting of the single-layer WS2 valence band, from 430 meV to 660 meV, together with a bandgap reduction of at least 325 meV, attributed to the formation of trionic quasiparticles. These findings suggest that the electronic, spintronic and excitonic properties are widely tunable in 2D TMD/h-BN heterostructures, as these are intimately linked to the quasiparticle dynamics of the materials11-13.

Large-area synthesis of WSe2 from WO3 by selenium-oxygen ion exchange

NASA Astrophysics Data System (ADS)

Browning, Paul; Eichfeld, Sarah; Zhang, Kehao; Hossain, Lorraine; Lin, Yu-Chuan; Wang, Ke; Lu, Ning; Waite, A. R.; Voevodin, A. A.; Kim, Moon; Robinson, Joshua A.

2015-03-01

Few-layer tungsten diselenide (WSe2) is attractive as a next-generation electronic material as it exhibits modest carrier mobilities and energy band gap in the visible spectra, making it appealing for photovoltaic and low-powered electronic applications. Here we demonstrate the scalable synthesis of large-area, few-layer WSe2 via replacement of oxygen in hexagonally stabilized tungsten oxide films using dimethyl selenium. Cross-sectional transmission electron microscopy reveals successful control of the final WSe2 film thickness through control of initial tungsten oxide thickness, as well as development of layered films with grain sizes up to several hundred nanometers. Raman spectroscopy and atomic force microscopy confirms high crystal uniformity of the converted WSe2, and time domain thermo-reflectance provide evidence that near record low thermal conductivity is achievable in ultra-thin WSe2 using this method.

Hybrid-PIC Modeling of the Transport of Atomic Boron in a Hall Thruster

NASA Technical Reports Server (NTRS)

Smith, Brandon D.; Boyd, Iaian D.; Kamhawi, Hani

2015-01-01

Computational analysis of the transport of boron eroded from the walls of a Hall thruster is performed by implementing sputter yields of hexagonal boron nitride and velocity distribution functions of boron within the hybrid-PIC model HPHall. The model is applied to simulate NASA's HiVHAc Hall thruster at a discharge voltage of 500V and discharge powers of 1-3 kW. The number densities of ground- and 4P-state boron are computed. The density of ground-state boron is shown to be a factor of about 30 less than the plasma density. The density of the excited state is shown to be about three orders of magnitude less than that of the ground state, indicating that electron impact excitation does not significantly affect the density of ground-state boron in the discharge channel or near-field plume of a Hall thruster. Comparing the rates of excitation and ionization suggests that ionization has a greater influence on the density of ground-state boron, but is still negligible. The ground-state boron density is then integrated and compared to cavity ring-down spectroscopy (CRDS) measurements for each operating point. The simulation results show good agreement with the measurements for all operating points and provide evidence in support of CRDS as a tool for measuring Hall thruster erosion in situ.

Static and Dynamic Behavior of High Modulus Hybrid Boron/Glass/Aluminum Fiber Metal Laminates

NASA Astrophysics Data System (ADS)

Yeh, Po-Ching

2011-12-01

This dissertation presents the investigation of a newly developed hybrid fiber metal laminates (FMLs) which contains commingled boron fibers, glass fibers, and 2024-T3 aluminum sheets. Two types of hybrid boron/glass/aluminum FMLs are developed. The first, type I hybrid FMLs, contained a layer of boron fiber prepreg in between two layers of S2-glass fiber prepreg, sandwiched by two aluminum alloy 2024-T3 sheets. The second, type II hybrid FMLs, contained three layer of commingled hybrid boron/glass fiber prepreg layers, sandwiched by two aluminum alloy 2024-T3 sheets. The mechanical behavior and deformation characteristics including blunt notch strength, bearing strength and fatigue behavior of these two types of hybrid boron/glass/aluminum FMLs were investigated. Compared to traditional S2-glass fiber reinforced aluminum laminates (GLARE), the newly developed hybrid boron/glass/aluminum fiber metal laminates possess high modulus, high yielding stress, and good blunt notch properties. From the bearing test result, the hybrid boron/glass/aluminum fiber metal laminates showed outstanding bearing strength. The high fiber volume fraction of boron fibers in type II laminates lead to a higher bearing strength compared to both type I laminates and traditional GLARE. Both types of hybrid FMLs have improved fatigue crack initiation lives and excellent fatigue crack propagation resistance compared to traditional GLARE. The incorporation of the boron fibers improved the Young's modulus of the composite layer in FMLs, which in turn, improved the fatigue crack initiation life and crack propagation rates of the aluminum sheets. Moreover, a finite element model was established to predict and verify the properties of hybrid boron/glass/aluminum FMLs. The simulated results showed good agreement with the experimental results.

Defect sensitive etching of hexagonal boron nitride single crystals

NASA Astrophysics Data System (ADS)

Edgar, J. H.; Liu, S.; Hoffman, T.; Zhang, Yichao; Twigg, M. E.; Bassim, Nabil D.; Liang, Shenglong; Khan, Neelam

2017-12-01

Defect sensitive etching (DSE) was developed to estimate the density of non-basal plane dislocations in hexagonal boron nitride (hBN) single crystals. The crystals employed in this study were precipitated by slowly cooling (2-4 °C/h) a nickel-chromium flux saturated with hBN from 1500 °C under 1 bar of flowing nitrogen. On the (0001) planes, hexagonal-shaped etch pits were formed by etching the crystals in a eutectic mixture of NaOH and KOH between 450 °C and 525 °C for 1-2 min. There were three types of pits: pointed bottom, flat bottom, and mixed shape pits. Cross-sectional transmission electron microscopy revealed that the pointed bottom etch pits examined were associated with threading dislocations. All of these dislocations had an a-type burgers vector (i.e., they were edge dislocations, since the line direction is perpendicular to the [ 2 11 ¯ 0 ]-type direction). The pit widths were much wider than the pit depths as measured by atomic force microscopy, indicating the lateral etch rate was much faster than the vertical etch rate. From an Arrhenius plot of the log of the etch rate versus the inverse temperature, the activation energy was approximately 60 kJ/mol. This work demonstrates that DSE is an effective method for locating threading dislocations in hBN and estimating their densities.

Semiconductor-Insulator-Semiconductor Diode Consisting of Monolayer MoS2, h-BN, and GaN Heterostructure.

PubMed

Jeong, Hyun; Bang, Seungho; Oh, Hye Min; Jeong, Hyeon Jun; An, Sung-Jin; Han, Gang Hee; Kim, Hyun; Kim, Ki Kang; Park, Jin Cheol; Lee, Young Hee; Lerondel, Gilles; Jeong, Mun Seok

2015-10-27

We propose a semiconductor-insulator-semiconductor (SIS) heterojunction diode consisting of monolayer (1-L) MoS2, hexagonal boron nitride (h-BN), and epitaxial p-GaN that can be applied to high-performance nanoscale optoelectronics. The layered materials of 1-L MoS2 and h-BN, grown by chemical vapor deposition, were vertically stacked by a wet-transfer method on a p-GaN layer. The final structure was verified by confocal photoluminescence and Raman spectroscopy. Current-voltage (I-V) measurements were conducted to compare the device performance with that of a more classical p-n structure. In both structures (the p-n and SIS heterojunction diode), clear current-rectifying characteristics were observed. In particular, a current and threshold voltage were obtained for the SIS structure that was higher compared to that of the p-n structure. This indicated that tunneling is the predominant carrier transport mechanism. In addition, the photoresponse of the SIS structure induced by the illumination of visible light was observed by photocurrent measurements.

Delaminated Transfer of CVD Graphene

NASA Astrophysics Data System (ADS)

Clavijo, Alexis; Mao, Jinhai; Tilak, Nikhil; Altvater, Michael; Andrei, Eva

Single layer graphene is commonly synthesized by dissociation of a carbonaceous gas at high temperatures in the presence of a metallic catalyst in a process known as Chemical Vapor Deposition or CVD. Although it is possible to achieve high quality graphene by CVD, the standard transfer technique of etching away the metallic catalyst is wasteful and jeopardizes the quality of the graphene film by contamination from etchants. Thus, development of a clean transfer technique and preservation of the parent substrate remain prominent hurdles to overcome. In this study, we employ a copper pretreatment technique and optimized parameters for growth of high quality single layer graphene at atmospheric pressure. We address the transfer challenge by utilizing the adhesive properties between a polymer film and graphene to achieve etchant-free transfer of graphene films from a copper substrate. Based on this concept we developed a technique for dry delamination and transferring of graphene to hexagonal boron nitride substrates, which produced high quality graphene films while at the same time preserving the integrity of the copper catalyst for reuse. DOE-FG02-99ER45742, Ronald E. McNair Postbaccalaureate Achievement Program.

Recent advancements in 2D-materials interface based magnetic junctions for spintronics

NASA Astrophysics Data System (ADS)

Iqbal, Muhammad Zahir; Qureshi, Nabeel Anwar; Hussain, Ghulam

2018-07-01

Two-dimensional (2D) materials comprising of graphene, hexagonal boron nitride (hBN) and transition metal dichalcogenides (TMDs) have revealed fascinating properties in various spintronic architectures. Here, we review spin valve effect in lateral and vertical magnetic junctions incorporating 2D materials as non-magnetic layer between ferromagnetic (FM) electrodes. The magnetic field dependent spin transport properties are studied by measuring non-local resistance (RNL) and relative magnetoresistance ratio (MR) for lateral and vertical structures, respectively. The review consists of (i) studying spin lifetimes and spin diffusion length thereby exploring the effect of tunneling and transparent contacts in lateral spin valve structures, temperature dependence, gate tunability and contrasting mechanisms of spin relaxation in single layer graphene (SLG) and bilayer graphene (BLG) devices. (ii) Perpendicular spin valve devices are thoroughly investigated thereby studying the role of different 2D materials in vertical spin dynamics. The dependence of spin valve signal on interface quality, temperature and various other parameters is also investigated. Furthermore, the spin reversal in graphene-hBN hybrid system is examined on the basis of Julliere model.

Effect of charged impurities and morphology on oxidation reactivity of graphene

NASA Astrophysics Data System (ADS)

Yamamoto, Mahito; Cullen, William; Einstein, Theodore; Fuhrer, Michael

2012-02-01

Chemical reactivity of single layer graphene supported on a substrate is observed to be enhanced over thicker graphene. Possible mechanisms for the enhancement are Fermi level fluctuations due to ionized impurities on the substrate, and structural deformation of graphene induced by coupling to the substrate geometry. Here, we study the substrate-dependent oxidation reactivity of graphene, employing various substrates such as SiO2, mica, SiO2 nanoparticle thin film, and hexagonal boron nitride, which exhibit different charged impurity concentrations and surface roughness. Graphene is prepared on each substrate via mechanical exfoliation and oxidized in Ar/O2 mixture at temperatures from 400-600 ^oC. After oxidation, the Raman spectrum of graphene is measured, and the Raman D to G peak ratio is used to quantify the density of point defects introduced by oxidation. We will discuss the correlations among the defect density in oxidized graphene, substrate charge inhomogeneity, substrate corrugations, and graphene layer thickness. This work has been supported by the University of Maryland NSF-MRSEC under Grant No. DMR 05-20471 with supplemental funding from NRI, and NSF-DMR 08-04976.

Surface acoustic waves in one-dimensional piezoelectric-metallic phononic crystal: Effect of a cap layer.

PubMed

Alami, M; El Boudouti, E H; Djafari-Rouhani, B; El Hassouani, Y; Talbi, A

2018-06-18

We study the propagation of transverse acoustic waves associated with the surface of a semi-infinite superlattice (SL) composed of piezoelectric-metallic layers and capped with a piezoelectric layer. We present closed-form expressions for localized surface waves, the so-called Bleustein-Gulyaev (BG) waves depending on whether the cap layer is open-circuited or short-circuited. These expressions are obtained by means of the Green's function method which enables to deduce also the densities of states. These theoretical results are illustrated by a few numerical applications to SLs made of piezoelectric layers of hexagonal symmetry belonging to the 6 mm class such as PZT4 and ZnO in contact with metallic layers such as Fe, Al, Au, Cu and boron-doped-diamond. We demonstrate a rule about the existence of surface modes when considering two complementary semi-infinite SLs obtained by the cleavage of an infinite SL along a plane parallel to the piezoelectric layers. Indeed, when the surface layers are open-circuited, one obtains one surface mode per gap, this mode is associated with one of the two complementary SLs. However, when the surface layers are short-circuited, this rule is not fulfilled and one can obtain zero, one or two modes inside each gap of the two complementary SLs depending on the position of the plane where the cleavage is produced. We show that in addition to the BG surface waves localized at the surface of the cap layer, there may exist true guided waves and pseudo-guided waves (i.e. leaky waves) induced by the cap layer either inside the gaps or inside the bands of the SL respectively. Also, we highlight the possibility of existence of interface modes between the SL and a cap layer as well as an interaction between these modes and the BG surface mode when both modes fall in the same band gaps of the SL. The strength of the interaction depends on the width of the cap layer. Finally, we show that the electromechanical coupling coefficient (ECC) is very sensitive to the cap layer thickness, in particular we calculate and discuss the behavior of the ECC as a function of the adlayer thickness for the low velocity surface modes of the SL which exhibit the highest ECC values. The effect of the nature of the metallic layers inside the SL on the ECC is also investigated. The different surface modes discussed in this work should have applications in sensing applications. Copyright © 2018. Published by Elsevier B.V.

Preparation of novel layer-stack hexagonal CdO micro-rods by a pre-oxidation and subsequent evaporation process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng, Kun, E-mail: kpeng@hnu.edu.cn; Hunan Province Key Laboratory for Spray Deposition Technology and Application, Hunan University, Changsha 410082; Jiang, Pan

2014-12-15

Graphical abstract: Layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared. - Highlights: • Novel hexagonal layer-stack structure CdO micro-rods were synthesized by a thermal evaporation method. • The pre-oxidation, vapor pressure and substrate nature play a key role on the formation of CdO rods. • The formation mechanism of CdO micro-rods was explained. - Abstract: Novel layer-stack hexagonal cadmium oxide (CdO) micro-rods were prepared by pre-oxidizing Cd granules and subsequent thermal oxidation under normal atmospheric pressure. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were performed to characterize the phase structure and microstructure. The pre-oxidation process, vapor pressure and substratemore » nature were the key factors for the formation of CdO micro-rods. The diameter of micro-rod and surface rough increased with increasing of thermal evaporation temperature, the length of micro-rod increased with the increasing of evaporation time. The formation of hexagonal layer-stack structure was explained by a vapor–solid mechanism.« less

The mechanical design of hybrid graphene/boron nitride nanotransistors: Geometry and interface effects

NASA Astrophysics Data System (ADS)

Einalipour Eshkalak, Kasra; Sadeghzadeh, Sadegh; Jalaly, Maisam

2018-02-01

From electronic point of view, graphene resembles a metal or semi-metal and boron nitride is a dielectric material (band gap = 5.9 eV). Hybridization of these two materials opens band gap of the graphene which has expansive applications in field-effect graphene transistors. In this paper, the effect of the interface structure on the mechanical properties of a hybrid graphene/boron nitride was studied. Young's modulus, fracture strain and tensile strength of the models were simulated. Three likely types (hexagonal, octagonal and decagonal) were found for the interface of hybrid sheet after relaxation. Although Csbnd B bonds at the interface were indicated to result in more promising electrical properties, nitrogen atoms are better choice for bonding to carbon for mechanical applications.

First-principles study of plutonium adsorption on perfect and defective graphene and hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Li, Shujing; Zhou, Mei; Li, Menglei; Wang, Xiaohui; Zheng, Fawei; Zhang, Ping

2018-05-01

The adsorption of the Pu atom on perfect and defective graphene and hexagonal boron nitride (h-BN) sheet has been systematically investigated by using first-principles calculations. Pu atom is most likely to trap at the hollow site in pure graphene, and the energy barrier is as high as 78.3 meV. For ideal h-BN, the top site of the boron atom is the most stable adsorption site for adatom Pu, and the maximal energy barrier is only 12 meV. Comparing Pu on pure graphene and h-BN sheet, Pu atom is easy to migrate on the surface of ideal h-BN at room temperature, while it is bound to perfect graphene. Besides, Pu atom adsorbed on defective graphene and h-BN sheet, with large adsorption energies in the range of 2.66 ∼ 14.95 eV, is more stable than that on pure graphene and h-BN sheet. We have also found that all the adsorption systems are spin-polarized with the largest magnetic moments of Pu to be 7.67 μ B on graphene and 6.71 μ B on h-BN with a single vacancy of N atom. These findings suggest that graphene and h-BN two-dimensional materials can be effectively applied in the growth of high-quality plutonium single crystal thin films, as well as in nuclear waste recovery.

Hexagonal OsB 2: Sintering, microstructure and mechanical properties

DOE PAGES

Xie, Zhilin; Lugovy, Mykola; Orlovskaya, Nina; ...

2015-02-07

In this study, the metastable high pressure ReB 2-type hexagonal OsB 2 bulk ceramics was produced by spark plasma sintering. The phase composition, microstructure, and mechanical behavior of the sintered OsB 2 were studied by X-ray diffraction, optical microscopy, TEM, SEM, EDS, and nanoindentation. The produced ceramics was rather porous and contained a mixture of hexagonal (~80 wt.%) and orthorhombic (~20 wt.%) phases as identified by X-ray diffraction and EBSD analysis. Two boron-rich phases, which do not contain Os, were also identified by TEM and SEM/EDS analysis. Nanoindentation measurements yielded a hardness of 31 ± 9 GPa and Young’s modulusmore » of 574 ± 112 GPa, indicating that the material is rather hard and very stiff; but, it is very prone to crack formation and propagation, which is indicative of a very brittle nature of this material. Improvements in the sintering regime are required in order to produce dense, homogeneous and single phase hexagonal OsB 2 bulk ceramics.« less

Alginic Acid-Aided Dispersion of Carbon Nanotubes, Graphene, and Boron Nitride Nanomaterials for Microbial Toxicity Testing

PubMed Central

Chang, Chong Hyun

2018-01-01

Robust evaluation of potential environmental and health risks of carbonaceous and boron nitride nanomaterials (NMs) is imperative. However, significant agglomeration of pristine carbonaceous and boron nitride NMs due to strong van der Waals forces renders them not suitable for direct toxicity testing in aqueous media. Here, the natural polysaccharide alginic acid (AA) was used as a nontoxic, environmentally relevant dispersant with defined composition to disperse seven types of carbonaceous and boron nitride NMs, including multiwall carbon nanotubes, graphene, boron nitride nanotubes, and hexagonal boron nitride flakes, with various physicochemical characteristics. AA’s biocompatibility was confirmed by examining AA effects on viability and growth of two model microorganisms (the protozoan Tetrahymena thermophila and the bacterium Pseudomonas aeruginosa). Using 400 mg·L−1 AA, comparably stable NM (200 mg·L−1) stock dispersions were obtained by 30-min probe ultrasonication. AA non-covalently interacted with NM surfaces and improved the dispersibility of NMs in water. The dispersion stability varied with NM morphology and size rather than chemistry. The optimized dispersion protocol established here can facilitate preparing homogeneous NM dispersions for reliable exposures during microbial toxicity testing, contributing to improved reproducibility of toxicity results. PMID:29385723

Alginic Acid-Aided Dispersion of Carbon Nanotubes, Graphene, and Boron Nitride Nanomaterials for Microbial Toxicity Testing.

PubMed

Wang, Ying; Mortimer, Monika; Chang, Chong Hyun; Holden, Patricia A

2018-01-30

Robust evaluation of potential environmental and health risks of carbonaceous and boron nitride nanomaterials (NMs) is imperative. However, significant agglomeration of pristine carbonaceous and boron nitride NMs due to strong van der Waals forces renders them not suitable for direct toxicity testing in aqueous media. Here, the natural polysaccharide alginic acid (AA) was used as a nontoxic, environmentally relevant dispersant with defined composition to disperse seven types of carbonaceous and boron nitride NMs, including multiwall carbon nanotubes, graphene, boron nitride nanotubes, and hexagonal boron nitride flakes, with various physicochemical characteristics. AA's biocompatibility was confirmed by examining AA effects on viability and growth of two model microorganisms (the protozoan Tetrahymena thermophila and the bacterium Pseudomonas aeruginosa ). Using 400 mg·L -1 AA, comparably stable NM (200 mg·L -1 ) stock dispersions were obtained by 30-min probe ultrasonication. AA non-covalently interacted with NM surfaces and improved the dispersibility of NMs in water. The dispersion stability varied with NM morphology and size rather than chemistry. The optimized dispersion protocol established here can facilitate preparing homogeneous NM dispersions for reliable exposures during microbial toxicity testing, contributing to improved reproducibility of toxicity results.

Graded bandgap perovskite solar cells.

PubMed

Ergen, Onur; Gilbert, S Matt; Pham, Thang; Turner, Sally J; Tan, Mark Tian Zhi; Worsley, Marcus A; Zettl, Alex

2017-05-01

Organic-inorganic halide perovskite materials have emerged as attractive alternatives to conventional solar cell building blocks. Their high light absorption coefficients and long diffusion lengths suggest high power conversion efficiencies, and indeed perovskite-based single bandgap and tandem solar cell designs have yielded impressive performances. One approach to further enhance solar spectrum utilization is the graded bandgap, but this has not been previously achieved for perovskites. In this study, we demonstrate graded bandgap perovskite solar cells with steady-state conversion efficiencies averaging 18.4%, with a best of 21.7%, all without reflective coatings. An analysis of the experimental data yields high fill factors of ∼75% and high short-circuit current densities up to 42.1 mA cm -2 . The cells are based on an architecture of two perovskite layers (CH 3 NH 3 SnI 3 and CH 3 NH 3 PbI 3-x Br x ), incorporating GaN, monolayer hexagonal boron nitride, and graphene aerogel.

van der Waals Heterostructures with High Accuracy Rotational Alignment.

PubMed

Kim, Kyounghwan; Yankowitz, Matthew; Fallahazad, Babak; Kang, Sangwoo; Movva, Hema C P; Huang, Shengqiang; Larentis, Stefano; Corbet, Chris M; Taniguchi, Takashi; Watanabe, Kenji; Banerjee, Sanjay K; LeRoy, Brian J; Tutuc, Emanuel

2016-03-09

We describe the realization of van der Waals (vdW) heterostructures with accurate rotational alignment of individual layer crystal axes. We illustrate the approach by demonstrating a Bernal-stacked bilayer graphene formed using successive transfers of monolayer graphene flakes. The Raman spectra of this artificial bilayer graphene possess a wide 2D band, which is best fit by four Lorentzians, consistent with Bernal stacking. Scanning tunneling microscopy reveals no moiré pattern on the artificial bilayer graphene, and tunneling spectroscopy as a function of gate voltage reveals a constant density of states, also in agreement with Bernal stacking. In addition, electron transport probed in dual-gated samples reveals a band gap opening as a function of transverse electric field. To illustrate the applicability of this technique to realize vdW heterostructuctures in which the functionality is critically dependent on rotational alignment, we demonstrate resonant tunneling double bilayer graphene heterostructures separated by hexagonal boron-nitride dielectric.

First principles molecular dynamics study of nitrogen vacancy complexes in boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-07-01

We present the results of first principles molecular dynamics simulations of nitrogen vacancy complexes in monolayer hexagonal boron nitride. The threshold for local structure reconstruction is found to be sensitive to the presence of a substitutional carbon impurity. We show that activated nitrogen dynamics triggers the annihilation of defects in the layer through formation of Stone-Wales-type structures. The lowest energy state of nitrogen vacancy complexes is negatively charged and spin polarized. Using the divacancy complex, we show that their formation induces spontaneous magnetic moments, which is tunable by electron or hole injection. The Fermi level s-resonant defect state is identified as a unique signature of the ground state of the divacancy complex. Due to their ability to enhance structural cohesion, only the divacancy and the nitrogen vacancy carbon-antisite complexes are able to suppress the Fermi level resonant defect state to open a gap between the conduction and valence bands.

All 2D, high mobility, flexible, transparent thin film transistor

DOEpatents

Das, Saptarshi; Sumant, Anirudha V.; Roelofs, Andreas

2017-01-17

A two-dimensional thin film transistor and a method for manufacturing a two-dimensional thin film transistor includes layering a semiconducting channel material on a substrate, providing a first electrode material on top of the semiconducting channel material, patterning a source metal electrode and a drain metal electrode at opposite ends of the semiconducting channel material from the first electrode material, opening a window between the source metal electrode and the drain metal electrode, removing the first electrode material from the window located above the semiconducting channel material providing a gate dielectric above the semiconducting channel material, and providing a top gate above the gate dielectric, the top gate formed from a second electrode material. The semiconducting channel material is made of tungsten diselenide, the first electrode material and the second electrode material are made of graphene, and the gate dielectric is made of hexagonal boron nitride.

Resonant-enhanced spectroscopy of molecular rotations with a scanning tunneling microscope.

PubMed

Natterer, Fabian Donat; Patthey, François; Brune, Harald

2014-07-22

We use rotational excitation spectroscopy with a scanning tunneling microscope to investigate the rotational properties of molecular hydrogen and its isotopes physisorbed on the surfaces of graphene and hexagonal boron nitride (h-BN), grown on Ni(111), Ru(0001), and Rh(111). The rotational excitation energies are in good agreement with ΔJ = 2 transitions of freely spinning p-H2 and o-D2 molecules. The variations of the spectral line shapes for H2 among the different surfaces can be traced back to a molecular resonance-mediated tunneling mechanism. Our data for H2/h-BN/Rh(111) suggest a local intrinsic gating on this surface due to lateral static dipoles. Spectra on a mixed monolayer of H2, HD, and D2 display all three J = 0 → 2 rotational transitions, irrespective of tip position, thus pointing to a multimolecule excitation, or molecular mobility in the physisorbed close-packed layer.

Island shape, size and interface dependency on electronic and magnetic properties of graphene hexagonal-boron nitride (h-BN) in-plane hybrids

NASA Astrophysics Data System (ADS)

Akman, Nurten; Özdoğan, Cem

2018-04-01

We systematically investigate the energetics of ion implantation, stability, electronic, and magnetic properties of graphene/hexagonal boron nitrate (h-BN) in-plane hybrids through first principle calculations. We consider hexagonal and triangular islands in supercells of graphene and h-BN layouts. In the case of triangular islands, both phases mix with each other by either solely Csbnd N or Csbnd B bonds. We also patterned triangles with predominating Csbnd N or Csbnd B bonds at their interfaces. The energetics of island implantation is discussed in detail. Formation energies point out that the island implantation could be even exothermic for all hybrids studied in this work. Effects of size and shape of the island, and dominating bonding sort at the island-layout interfaces on the stability, band gap, and magnetic properties of hybrids are studied particularly. The hybrids become more stable with increasing island size. Regardless of the layout, hybrids with hexagonal islands are all non-magnetic and semiconducting. One can thus open a band gap in the semimetallic graphene by mixing it with the h-BN phase. In general, hybrids containing graphene triangles show metallic property and exhibit considerable amount of magnetic moments for possible localized spin utilizations. Total magnetic moment of hybrids with both graphene and h-BN layouts increases with growing triangle island as well. The spin densities of magnetic hybrids are derived from interfaces of the islands and diminish towards their center. We suggest that the increase in stability and magnetic moment depend on the number of atoms at the interfaces rather than the island size.

Molecular dynamics investigation of hexagonal boron nitride sputtering and sputtered particle characteristics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Brandon D., E-mail: bradenis@umich.edu; Boyd, Iain D.

The sputtering of hexagonal boron nitride (h-BN) by impacts of energetic xenon ions is investigated using a molecular dynamics (MD) model. The model is implemented within an open-source MD framework that utilizes graphics processing units to accelerate its calculations, allowing the sputtering process to be studied in much greater detail than has been feasible in the past. Integrated sputter yields are computed over a range of ion energies from 20 eV to 300 eV, and incidence angles from 0° to 75°. Sputtering of boron is shown to occur at energies as low as 40 eV at normal incidence, and sputtering of nitrogen atmore » as low as 30 eV at normal incidence, suggesting a threshold energy between 20 eV and 40 eV. The sputter yields at 0° incidence are compared to existing experimental data and are shown to agree well over the range of ion energies investigated. The semi-empirical Bohdansky curve and an empirical exponential function are fit to the data at normal incidence, and the threshold energy for sputtering is calculated from the Bohdansky curve fit as 35 ± 2 eV. These results are shown to compare well with experimental observations that the threshold energy lies between 20 eV and 40 eV. It is demonstrated that h-BN sputters predominantly as atomic boron and diatomic nitrogen, and the velocity distribution function (VDF) of sputtered boron atoms is investigated. The calculated VDFs are found to reproduce the Sigmund-Thompson distribution predicted by Sigmund's linear cascade theory of sputtering. The average surface binding energy computed from Sigmund-Thompson curve fits is found to be 4.5 eV for ion energies of 100 eV and greater. This compares well to the value of 4.8 eV determined from independent experiments.« less

Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(1 1 1): reactivity and electronic structure

NASA Astrophysics Data System (ADS)

Späth, F.; Gebhardt, J.; Düll, F.; Bauer, U.; Bachmann, P.; Gleichweit, C.; Görling, A.; Steinrück, H.-P.; Papp, C.

2017-09-01

We investigate the reactivity of hexagonal boron nitride (h-BN) on a Ni(1 1 1) single crystal towards atomic hydrogen over a wide exposure range. Near edge x-ray absorption fine structure and x-ray photoelectron spectroscopy (XPS) show that for low hydrogen exposures hydrogenation of the h-BN sheet is found. In contrast, intercalation of hydrogen between h-BN and the Ni(1 1 1) substrate occurs for high exposures. For intermediate regimes, a mixture of intercalation and hydrogenation is observed. From temperature-programmed desorption and temperature-programmed XPS experiments, we conclude that the hydrogen covalently bound to h-BN is rather stable with a desorption temperature of 600 K, while intercalated hydrogen is desorbing already at 390 K. Further insight into the structural arrangements and the thermodynamics of the system is obtained by comparing our experimental results with extensive density-functional theory calculations. Together with ultraviolet photoelectron spectroscopy measurements, the calculations provide detailed insight into the influence of hydrogenation on the electronic structure of h-BN.

The effect of water absorption on the dielectric properties of polyethylene hexagonal boron nitride nanocomposites

NASA Astrophysics Data System (ADS)

Ayoob, Raed; Alhabill, Fuad N.; Andritsch, Thomas; Vaughan, Alun S.

2018-02-01

The effect of water absorption on the dielectric response of polyethylene/hexagonal boron nitride nanocomposites has been studied by dielectric spectroscopy. The nanocomposites have been prepared with hBN concentrations ranging from 2 wt% to 30 wt%. Fourier transform infrared spectroscopy and thermogravimetric analysis revealed a very small amount of hydroxyl groups on the surface of hBN. Mass loss measurements showed that the nanocomposites did not absorb any water under ambient and dry conditions while there was some water absorption under wet conditions. The dielectric spectroscopy results showed a broad relaxation peak, indicative of different states of water with water shells of different thickness, which moved to higher frequencies with increasing water content. However, the dielectric losses were significantly lower than the losses reported in the literature of nanocomposites under wet conditions. In addition, all the absorbed water was successfully removed under vacuum conditions which demonstrated that the interactions between the water and the nanocomposites were very weak, due to the hydrophobic nature of the hBN surface. This is a highly useful property, when considering these materials for applications in electrical insulation.

Synthesis of large-area multilayer hexagonal boron nitride for high material performance.

PubMed

Kim, Soo Min; Hsu, Allen; Park, Min Ho; Chae, Sang Hoon; Yun, Seok Joon; Lee, Joo Song; Cho, Dae-Hyun; Fang, Wenjing; Lee, Changgu; Palacios, Tomás; Dresselhaus, Mildred; Kim, Ki Kang; Lee, Young Hee; Kong, Jing

2015-10-28

Although hexagonal boron nitride (h-BN) is a good candidate for gate-insulating materials by minimizing interaction from substrate, further applications to electronic devices with available two-dimensional semiconductors continue to be limited by flake size. While monolayer h-BN has been synthesized on Pt and Cu foil using chemical vapour deposition (CVD), multilayer h-BN is still absent. Here we use Fe foil and synthesize large-area multilayer h-BN film by CVD with a borazine precursor. These films reveal strong cathodoluminescence and high mechanical strength (Young's modulus: 1.16 ± 0.1 TPa), reminiscent of formation of high-quality h-BN. The CVD-grown graphene on multilayer h-BN film yields a high carrier mobility of ∼ 24,000 cm(2) V(-1) s(-1) at room temperature, higher than that (∼ 13,000 (2) V(-1) s(-1)) with exfoliated h-BN. By placing additional h-BN on a SiO2/Si substrate for a MoS2 (WSe2) field-effect transistor, the doping effect from gate oxide is minimized and furthermore the mobility is improved by four (150) times.

Planar Tunneling Spectroscopy of Graphene Nanodevices

NASA Astrophysics Data System (ADS)

Wang, Joel I.-Jan; Bretheau, Landry; Pisoni, Riccardo; Watanabe, Kenji; Taniguchi, Takashi; Jarillo-Herrero, Pablo

2-D Van-der-Waals mesoscopic physics have seen a rapid development in the last 10 years, with new materials each year added to the toolbox. Stacking them like Lego enables the combination of their individual electronic properties. In particular, hexagonal boron nitride, which is an insulator, gives the possibility to perform planar (2-D to 2-D) tunneling spectroscopy within this type of heterostructures. Unlike standard transport measurements, tunneling spectroscopy enables to probe the electronic properties in the energy domain. Moreover, since planar tunneling probes a large area of the system, global quantum features such as quantum Hall effect, superconducting proximity effect or quantum confinement can be investigated. In this talk, we will present implementation of heterostructures consisting of graphene, hexagonal boron nitride, and graphite, fabricated for planar tunneling spectroscopy. In order to reveal the intrinsic properties of materials, the fabrication scheme aims at preserving the pristine nature of the 2-DEGS as well as minimizing the doping introduced by external probes. As a demonstration, measurements of these devices in normal states, high magnetic field environment, and induced superconducting state will be presented.

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Al-Hamdani, Yasmine S.; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ; Alfè, Dario

2016-04-21

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparingmore » the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed.« less

Nature of exciton transitions in hexagonal boron nitride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, J.; Cao, X. K.; Lin, J. Y.

2016-03-21

In contrast to other III-nitride semiconductors GaN and AlN, the intrinsic (or free) exciton transition in hexagonal boron nitride (h-BN) consists of rather complex fine spectral features (resolved into six sharp emission peaks) and the origin of which is still unclear. Here, the free exciton transition (FX) in h-BN bulk crystals synthesized by a solution method at atmospheric pressure has been probed by deep UV time-resolved photoluminescence (PL) spectroscopy. Based on the separations between the energy peak positions of the FX emission lines, the identical PL decay kinetics among different FX emission lines, and the known phonon modes in h-BN,more » we suggest that there is only one principal emission line corresponding to the direct intrinsic FX transition in h-BN, whereas all other fine features are a result of phonon-assisted transitions. The identified phonon modes are all associated with the center of the Brillouin zone. Our results offer a simple picture for the understanding of the fundamental exciton transitions in h-BN.« less

Hexagonal boron nitride catalyst in a fixed-bed reactor for exothermic propane oxidation dehydrogenation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tian, Jinshu; Lin, Jinhan; Xu, Mingliang

Hexagonal boron nitride (h-BN) with high thermal conductivity is potentially an effective catalyst for highly exothermic propane oxidative dehydrogenation (ODH) reaction. Here, we report our experimental and theoretic studies of such a catalyst for propane ODH in a fixed-bed reactor. Based on the computational fluid dynamics calculation (CFD) results, the catalyst bed temperature increases by less than 1°C in the h-BN catalyst bed which is much smaller than that (8°C) in the VO x/γ-Al 2O 3 catalyst bed at a similar propane conversion (25%) using a micro-tubular reactor with a diameter of 6 mm. Even in an industrially relevant reactormore » with an inner diameter of 60 mm, a uniform temperature profile can still be maintained using the h-BN catalyst bed due to its excellent thermal conductivity as opposed to a temperature gradient of 47°C in the VO x/γ-Al 2O 3 catalyst bed. The results reported here provide useful information for potential application of h-BN catalyst in propane ODH.« less

Template growth of Au, Ni and Ni–Au nanoclusters on hexagonal boron nitride/Rh(111): a combined STM, TPD and AES study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Fanglue; Huang, Dali; Yue, Yuan

In this study, the template growth of Au, Ni, and Ni–Au bimetallic nanoclusters on hexagonal boron nitride/Rh(111), i.e. h-BN/Rh(111), was investigated via scanning tunneling microscopy (STM), temperature programmed-desorption (TPD), and Auger electron spectroscopy (AES). STM study shows that template growth of Au clusters on h-BN/Rh(111) forms mainly well-dispersed monolayer clusters. In contrast, Ni forms large multilayer clusters showing a relatively high diffusivity on h-BN/Rh(111) substrate. Ni–Au bimetallic clusters are effectively formed first by Au deposition followed by Ni deposition, with the Au clusters functioning as nucleation sites for the subsequently deposited Ni. Further structural analysis was carried out via TPDmore » and AES. The resulting TPD and AES data show the surface composition and charge transfer between Au and Ni of the bimetallic clusters. These results suggest that the h-BN/Rh(111) substrate represents a unique candidate for supporting Ni–Au bimetallic clusters in further catalytic reactions.« less

Template growth of Au, Ni and Ni–Au nanoclusters on hexagonal boron nitride/Rh(111): a combined STM, TPD and AES study

DOE PAGES

Wu, Fanglue; Huang, Dali; Yue, Yuan; ...

2017-09-12

In this study, the template growth of Au, Ni, and Ni–Au bimetallic nanoclusters on hexagonal boron nitride/Rh(111), i.e. h-BN/Rh(111), was investigated via scanning tunneling microscopy (STM), temperature programmed-desorption (TPD), and Auger electron spectroscopy (AES). STM study shows that template growth of Au clusters on h-BN/Rh(111) forms mainly well-dispersed monolayer clusters. In contrast, Ni forms large multilayer clusters showing a relatively high diffusivity on h-BN/Rh(111) substrate. Ni–Au bimetallic clusters are effectively formed first by Au deposition followed by Ni deposition, with the Au clusters functioning as nucleation sites for the subsequently deposited Ni. Further structural analysis was carried out via TPDmore » and AES. The resulting TPD and AES data show the surface composition and charge transfer between Au and Ni of the bimetallic clusters. These results suggest that the h-BN/Rh(111) substrate represents a unique candidate for supporting Ni–Au bimetallic clusters in further catalytic reactions.« less

Ab Initio Molecular Dynamics and Lattice Dynamics-Based Force Field for Modeling Hexagonal Boron Nitride in Mechanical and Interfacial Applications.

PubMed

Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel

2018-04-05

Hexagonal boron nitride (hBN) is an up-and-coming two-dimensional material, with applications in electronic devices, tribology, and separation membranes. Herein, we utilize density-functional-theory-based ab initio molecular dynamics (MD) simulations and lattice dynamics calculations to develop a classical force field (FF) for modeling hBN. The FF predicts the crystal structure, elastic constants, and phonon dispersion relation of hBN with good accuracy and exhibits remarkable agreement with the interlayer binding energy predicted by random phase approximation calculations. We demonstrate the importance of including Coulombic interactions but excluding 1-4 intrasheet interactions to obtain the correct phonon dispersion relation. We find that improper dihedrals do not modify the bulk mechanical properties and the extent of thermal vibrations in hBN, although they impact its flexural rigidity. Combining the FF with the accurate TIP4P/Ice water model yields excellent agreement with interaction energies predicted by quantum Monte Carlo calculations. Our FF should enable an accurate description of hBN interfaces in classical MD simulations.

Hexagonal boron nitride catalyst in a fixed-bed reactor for exothermic propane oxidation dehydrogenation

DOE PAGES

Tian, Jinshu; Lin, Jinhan; Xu, Mingliang; ...

2018-04-17

Hexagonal boron nitride (h-BN) with high thermal conductivity is potentially an effective catalyst for highly exothermic propane oxidative dehydrogenation (ODH) reaction. Here, we report our experimental and theoretic studies of such a catalyst for propane ODH in a fixed-bed reactor. Based on the computational fluid dynamics calculation (CFD) results, the catalyst bed temperature increases by less than 1°C in the h-BN catalyst bed which is much smaller than that (8°C) in the VO x/γ-Al 2O 3 catalyst bed at a similar propane conversion (25%) using a micro-tubular reactor with a diameter of 6 mm. Even in an industrially relevant reactormore » with an inner diameter of 60 mm, a uniform temperature profile can still be maintained using the h-BN catalyst bed due to its excellent thermal conductivity as opposed to a temperature gradient of 47°C in the VO x/γ-Al 2O 3 catalyst bed. The results reported here provide useful information for potential application of h-BN catalyst in propane ODH.« less

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

NASA Astrophysics Data System (ADS)

Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; Michaelides, Angelos

2016-04-01

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparing the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed.

Effect of 10B isotope and vacancy defects on the phonon modes of two-dimensional hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Sherajul Islam, Md.; Anindya, Khalid N.; Bhuiyan, Ashraful G.; Tanaka, Satoru; Makino, Takayuki; Hashimoto, Akihiro

2018-02-01

We report the details of the effects of the 10B isotope and those of B and N vacancies combined with the isotope on the phonon modes of two-dimensional hexagonal boron nitride (h-BN). The phonon density of states and localization problems are solved using the forced vibrational method, which is suitable for an intricate and disordered system. We observe an upward shift of Raman-active E2g-mode optical phonons (32 cm-1) for a 100% 10B isotope, which matches well with the experiment and simple harmonic oscillator model. However, a downward shift of E2g-mode phonons is observed for B or N vacancies and the combination of the isotope and vacancy-type disordered BN. Strong localized eigenmodes are found for all types of defects, and a typical localization length is on the order of ˜7 nm for naturally occurring BN samples. These results are very important for understanding the heat dissipation and electron transport properties of BN-based nanoelectronics.

Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation

DOE PAGES

O’Callahan, Brian T.; Lewis, William E.; Möbius, Silke; ...

2015-12-03

Infrared vibrational nano-spectroscopy based on scattering scanning near-field optical microscopy (s-SNOM) provides intrinsic chemical specificity with nanometer spatial resolution. Here we use incoherent infrared radiation from a 1400 K thermal blackbody emitter for broadband infrared (IR) nano-spectroscopy.With optimized interferometric heterodyne signal amplification we achieve few-monolayer sensitivity in phonon polariton spectroscopy and attomolar molecular vibrational spectroscopy. Near-field localization and nanoscale spatial resolution is demonstrated in imaging flakes of hexagonal boron nitride (hBN) and determination of its phonon polariton dispersion relation. The signal-to-noise ratio calculations and analysis for different samples and illumination sources provide a reference for irradiance requirements and the attainablemore » near-field signal levels in s-SNOM in general. As a result, the use of a thermal emitter as an IR source thus opens s-SNOM for routine chemical FTIR nano-spectroscopy.« less

Broadband infrared vibrational nano-spectroscopy using thermal blackbody radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

O’Callahan, Brian T.; Lewis, William E.; Möbius, Silke

Infrared vibrational nano-spectroscopy based on scattering scanning near-field optical microscopy (s-SNOM) provides intrinsic chemical specificity with nanometer spatial resolution. Here we use incoherent infrared radiation from a 1400 K thermal blackbody emitter for broadband infrared (IR) nano-spectroscopy.With optimized interferometric heterodyne signal amplification we achieve few-monolayer sensitivity in phonon polariton spectroscopy and attomolar molecular vibrational spectroscopy. Near-field localization and nanoscale spatial resolution is demonstrated in imaging flakes of hexagonal boron nitride (hBN) and determination of its phonon polariton dispersion relation. The signal-to-noise ratio calculations and analysis for different samples and illumination sources provide a reference for irradiance requirements and the attainablemore » near-field signal levels in s-SNOM in general. As a result, the use of a thermal emitter as an IR source thus opens s-SNOM for routine chemical FTIR nano-spectroscopy.« less

Formation of hexagonal boron nitride nanoscrolls induced by inclusion and exclusion of self-assembling molecules in solution process.

PubMed

Hwang, Da Young; Suh, Dong Hack

2014-06-07

Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs.

Controlled growth of semiconductor crystals

DOEpatents

Bourret-Courchesne, Edith D.

1992-01-01

A method for growth of III-V, II-VI and related semiconductor single crystals that suppresses random nucleation and sticking of the semiconductor melt at the crucible walls. Small pieces of an oxide of boron B.sub.x O.sub.y are dispersed throughout the comminuted solid semiconductor charge in the crucible, with the oxide of boron preferably having water content of at least 600 ppm. The crucible temperature is first raised to a temperature greater than the melt temperature T.sub.m1 of the oxide of boron (T.sub.m1 =723.degree. K. for boron oxide B.sub.2 O.sub.3), and the oxide of boron is allowed to melt and form a reasonably uniform liquid layer between the crucible walls and bottom surfaces and the still-solid semiconductor charge. The temperature is then raised to approximately the melt temperature T.sub.m2 of the semiconductor charge material, and crystal growth proceeds by a liquid encapsulated, vertical gradient freeze process. About half of the crystals grown have a dislocation density of less than 1000/cm.sup.2. If the oxide of boron has water content less than 600 ppm, the crucible material should include boron nitride, a layer of the inner surface of the crucible should be oxidized before the oxide of boron in the crucible charge is melted, and the sum of thicknesses of the solid boron oxide layer and liquid boron oxide layer should be at least 50 .mu.m.

Controlled growth of semiconductor crystals

DOEpatents

Bourret-Courchesne, E.D.

1992-07-21

A method is disclosed for growth of III-V, II-VI and related semiconductor single crystals that suppresses random nucleation and sticking of the semiconductor melt at the crucible walls. Small pieces of an oxide of boron B[sub x]O[sub y] are dispersed throughout the comminuted solid semiconductor charge in the crucible, with the oxide of boron preferably having water content of at least 600 ppm. The crucible temperature is first raised to a temperature greater than the melt temperature T[sub m1] of the oxide of boron (T[sub m1]=723 K for boron oxide B[sub 2]O[sub 3]), and the oxide of boron is allowed to melt and form a reasonably uniform liquid layer between the crucible walls and bottom surfaces and the still-solid semiconductor charge. The temperature is then raised to approximately the melt temperature T[sub m2] of the semiconductor charge material, and crystal growth proceeds by a liquid encapsulated, vertical gradient freeze process. About half of the crystals grown have a dislocation density of less than 1000/cm[sup 2]. If the oxide of boron has water content less than 600 ppm, the crucible material should include boron nitride, a layer of the inner surface of the crucible should be oxidized before the oxide of boron in the crucible charge is melted, and the sum of thicknesses of the solid boron oxide layer and liquid boron oxide layer should be at least 50 [mu]m. 7 figs.

Boron Arsenide and Boron Phosphide for High Temperature and Luminescent Devices. [semiconductor devices - crystal growth/crystal structure

NASA Technical Reports Server (NTRS)

Chu, T. L.

1975-01-01

The crystal growth of boron arsenide and boron phosphide in the form of bulk crystals and epitaxial layers on suitable substrates is discussed. The physical, chemical, and electrical properties of the crystals and epitaxial layers are examined. Bulk crystals of boron arsenide were prepared by the chemical transport technique, and their carrier concentration and Hall mobility were measured. The growth of boron arsenide crystals from high temperature solutions was attempted without success. Bulk crystals of boron phosphide were also prepared by chemical transport and solution growth techniques. Techniques required for the fabrication of boron phosphide devices such as junction shaping, diffusion, and contact formation were investigated. Alloying techniques were developed for the formation of low-resistance ohmic contacts to boron phosphide. Four types of boron phosphide devices were fabricated: (1) metal-insulator-boron phosphide structures, (2) Schottky barriers; (3) boron phosphide-silicon carbide heterojunctions; and (4) p-n homojunctions. Easily visible red electroluminescence was observed from both epitaxial and solution grown p-n junctions.

Enhanced mechanical properties of epoxy nanocomposites by mixing noncovalently functionalized boron nitride nanoflakes.

PubMed

Lee, Dongju; Song, Sung Ho; Hwang, Jaewon; Jin, Sung Hwan; Park, Kwang Hyun; Kim, Bo Hyun; Hong, Soon Hyung; Jeon, Seokwoo

2013-08-12

The influence of surface modifications on the mechanical properties of epoxy-hexagonal boron nitride nanoflake (BNNF) nanocomposites is investigated. Homogeneous distributions of boron nitride nanoflakes in a polymer matrix, preserving intrinsic material properties of boron nitride nanoflakes, is the key to successful composite applications. Here, a method is suggested to obtain noncovalently functionalized BNNFs with 1-pyrenebutyric acid (PBA) molecules and to synthesize epoxy-BNNF nanocomposites with enhanced mechanical properties. The incorporation of noncovalently functionalized BNNFs into epoxy resin yields an elastic modulus of 3.34 GPa, and 71.9 MPa ultimate tensile strength at 0.3 wt%. The toughening enhancement is as high as 107% compared to the value of neat epoxy. The creep strain and the creep compliance of the noncovalently functionalized BNNF nanocomposite is significantly less than the neat epoxy and the nonfunctionalized BNNF nanocomposite. Noncovalent functionalization of BNNFs is effective to increase mechanical properties by strong affinity between the fillers and the matrix. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phosphorene-directed self-assembly of asymmetric PS-b-PMMA block copolymer for perpendicularly-oriented sub-10 nm PS nanopore arrays

NASA Astrophysics Data System (ADS)

Zhang, Ziming; Zheng, Lu; Khurram, Muhammad; Yan, Qingfeng

2017-10-01

Few-layer black phosphorus, also known as phosphorene, is a new two-dimensional material which is of enormous interest for applications, mainly in electronics and optoelectronics. Herein, we for the first time employ phosphorene for directing the self-assembly of asymmetric polystyrene-block-polymethylmethacrylate (PS-b-PMMA) block copolymer (BCP) thin film to form the perpendicular orientation of sub-10 nm PS nanopore arrays in a hexagonal fashion normal to the interface. We experimentally demonstrate that none of the PS and PMMA blocks exhibit preferential affinity to the phosphorene-modified surface. Furthermore, the perpendicularly-oriented PS nanostructures almost stay unchanged with the variation of number of layers of few-layer phosphorene nanoflakes between 15-30 layers. Differing from the neutral polymer brushes which are widely used for chemical modification of the silicon substrate, phosphorene provides a novel physical way to control the interfacial interactions between the asymmetric PS-b-PMMA BCP thin film and the silicon substrate. Based on our results, it is possible to build a new scheme for producing sub-10 nm PS nanopore arrays oriented perpendicularly to the few-layer phosphorene nanoflakes. Furthermore, the nanostructural microdomains could serve as a promising nanolithography template for surface patterning of phosphorene nanoflakes.

Gap discrete breathers in strained boron nitride

NASA Astrophysics Data System (ADS)

Barani, Elham; Korznikova, Elena A.; Chetverikov, Alexander P.; Zhou, Kun; Dmitriev, Sergey V.

2017-11-01

Linear and nonlinear dynamics of hexagonal boron nitride (h-BN) lattice is studied by means of molecular dynamics simulations with the use of the Tersoff interatomic potentials. It is found that sufficiently large homogeneous elastic strain along zigzag direction opens a wide gap in the phonon spectrum. Extended vibrational mode with boron and nitrogen sublattices vibrating in-plane as a whole in strained h-BN has frequency within the phonon gap. This fact suggests that a nonlinear spatially localized vibrational mode with frequencies in the phonon gap, called discrete breather (also often termed as intrinsic localized mode), can be excited. Properties of the gap discrete breathers in strained h-BN are contrasted with that for analogous vibrational mode found earlier in strained graphene. It is found that h-BN modeled with the Tersoff potentials does not support transverse discrete breathers.

Extraction of Boron Nitride Nanotubes and Fabrication of Macroscopic Articles Using Chlorosulfonic Acid.

PubMed

Adnan, Mohammed; Marincel, Daniel M; Kleinerman, Olga; Chu, Sang-Hyon; Park, Cheol; Hocker, Samuel J A; Fay, Catharine; Arepalli, Sivaram; Talmon, Yeshayahu; Pasquali, Matteo

2018-03-14

Due to recent advances in high-throughput synthesis, research on boron nitride nanotubes (BNNTs) is moving toward applications. One future goal is the assembly of macroscopic articles of high-aspect-ratio, pristine BNNTs. However, these articles are presently unattainable because of insufficient purification and fabrication methods. We introduce a solution process for extracting BNNTs from synthesis impurities without sonication or the use of surfactants and proceed to convert the extracted BNNTs into thin films. The solution process can also be used to convert as-synthesized material-which contains significant amounts of hexagonal boron nitride ( h-BN)-into mats and aerogels with controllable structure and dimension. The solution extraction method, combined with further advances in synthesis and purification, contributes to the development of all-BNNT macroscopic articles, such as fibers and 3-D structures.

Half-metallic ferromagnetism in substitutionally doped boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-11-01

We perform first-principles molecular dynamics simulations to investigate the magnetoelectronic response of substitutionally doped boronitrene to thermal excitation. We show that the local geometry, size, and edge termination of the substitutional complexes of boron, carbon, or nitrogen determine the thermodynamic stability of the monolayer. We find that hexagonal boron or triangular carbon clusters induce finite magnetic moments with 100% spin-polarized Fermi-level electrons in boronitrene. In such carbon substitutions, the spontaneous magnetic moment increases with the size of the embedded carbon cluster, and results in half-metallic ferrimagnetism above 750 K with a corresponding Curie point of 1250 K, above which the magnetization density vanishes. We predict an ultrahigh temperature half-metallic ferromagnetic phase in impurity-free boronitrene, when any three nearest-neighbor nitrogen atoms are substituted with boron, with unquenched magnetic moment up to its melting point.

Adsorption of cyanogen chloride on the surface of boron nitride nanotubes for CNCl sensing

NASA Astrophysics Data System (ADS)

Movlarooy, Tayebeh; Fadradi, Mahboobeh Amiri

2018-05-01

The adsorption of CNCl gas, on the surface of boron nitride nanotubes in pure form, as well as doped with Al and Ga, based on the density functional theory (DFT) has been studied. The electron and structural properties of pristine and doped nanotubes have been investigated. By calculating the adsorption energy, the most stable positions and the equilibrium distance are obtained, and charge transferred and electronic properties have been calculated. The most stable molecule adsorption position for pure nanotube is obtained at the center of the hexagon and for doped nanotube above the impurity atom from N side.

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

NASA Astrophysics Data System (ADS)

Kim, Do-Hyun; Kim, Hag-Soo; Song, Min Woo; Lee, Seunghyun; Lee, Sang Yun

2017-05-01

Hexagonal boron nitride (h-BN) is an electrical insulator with a large band gap of 5 eV and a good thermal conductor of which melting point reaches about 3000 °C. Due to these properties, much attention was given to the thermal stability rather than the electrical properties of h-BN experimentally and theoretically. In this study, we report calculations that the electronic structure of monolayer h-BN can be influenced by the presence of a vacancy defect which leads to a geometric deformation in the hexagonal lattice structure. The vacancy was varied from mono- to tri-vacancy in a supercell, and different defective structures under the same vacancy density were considered in the case of an odd number of vacancies. Consequently, all cases of vacancy defects resulted in a geometric distortion in monolayer h-BN, and new energy states were created between valence and conduction band with the Fermi level shift. Notably, B atoms around vacancies attracted one another while repulsion happened between N atoms around vacancies, irrespective of vacancy density. The calculation of formation energy revealed that multi-vacancy including more B-vacancies has much lower formation energy than vacancies with more N-vacancies. This work suggests that multi-vacancy created in monolayer h-BN will have more B-vacancies and that the presence of multi-vacancy can make monolayer h-BN electrically conductive by the new energy states and the Fermi level shift.

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy.

PubMed

Kim, Do-Hyun; Kim, Hag-Soo; Song, Min Woo; Lee, Seunghyun; Lee, Sang Yun

2017-01-01

Hexagonal boron nitride (h-BN) is an electrical insulator with a large band gap of 5 eV and a good thermal conductor of which melting point reaches about 3000 °C. Due to these properties, much attention was given to the thermal stability rather than the electrical properties of h-BN experimentally and theoretically. In this study, we report calculations that the electronic structure of monolayer h-BN can be influenced by the presence of a vacancy defect which leads to a geometric deformation in the hexagonal lattice structure. The vacancy was varied from mono- to tri-vacancy in a supercell, and different defective structures under the same vacancy density were considered in the case of an odd number of vacancies. Consequently, all cases of vacancy defects resulted in a geometric distortion in monolayer h-BN, and new energy states were created between valence and conduction band with the Fermi level shift. Notably, B atoms around vacancies attracted one another while repulsion happened between N atoms around vacancies, irrespective of vacancy density. The calculation of formation energy revealed that multi-vacancy including more B-vacancies has much lower formation energy than vacancies with more N-vacancies. This work suggests that multi-vacancy created in monolayer h-BN will have more B-vacancies and that the presence of multi-vacancy can make monolayer h-BN electrically conductive by the new energy states and the Fermi level shift.

Friction Effects of Lead-Based and Lead-Free Primers in 5.56mm NATO

DTIC Science & Technology

2014-01-30

Temperatures – A Review,” Tribology International 15(5), pp. 303-315. Martin, J.M., Le Mogne, T., Chassagnette, C., and Gardos, M.N., 1992. “Friction of...Hexagonal Boron Nitride in Various Environments,” Tribology Transactions 35(3), pp. 462-472. White, L. and Siewert, J., 2007. “Final Report of the

Capillary-Force-Assisted Clean-Stamp Transfer of Two-Dimensional Materials.

PubMed

Ma, Xuezhi; Liu, Qiushi; Xu, Da; Zhu, Yangzhi; Kim, Sanggon; Cui, Yongtao; Zhong, Lanlan; Liu, Ming

2017-11-08

A simple and clean method of transferring two-dimensional (2D) materials plays a critical role in the fabrication of 2D electronics, particularly the heterostructure devices based on the artificial vertical stacking of various 2D crystals. Currently, clean transfer techniques rely on sacrificial layers or bulky crystal flakes (e.g., hexagonal boron nitride) to pick up the 2D materials. Here, we develop a capillary-force-assisted clean-stamp technique that uses a thin layer of evaporative liquid (e.g., water) as an instant glue to increase the adhesion energy between 2D crystals and polydimethylsiloxane (PDMS) for the pick-up step. After the liquid evaporates, the adhesion energy decreases, and the 2D crystal can be released. The thin liquid layer is condensed to the PDMS surface from its vapor phase, which ensures the low contamination level on the 2D materials and largely remains their chemical and electrical properties. Using this method, we prepared graphene-based transistors with low charge-neutral concentration (3 × 10 10 cm -2 ) and high carrier mobility (up to 48 820 cm 2 V -1 s -1 at room temperature) and heterostructure optoelectronics with high operation speed. Finally, a capillary-force model is developed to explain the experiment.

Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohammadi, V., E-mail: V.Mohammadi@tudelft.nl; Nihtianov, S.

The lateral gas phase diffusion length of boron atoms, L{sub B}, along silicon and boron surfaces during chemical vapor deposition (CVD) using diborane (B{sub 2}H{sub 6}) is reported. The value of L{sub B} is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and confirmed analytically in the boron deposition temperature range from 700 °C down to 400 °C. For this temperature range the local loading effect of the boron deposition is investigated on the micro scale. A L{sub B} = 2.2 mm was determined for boron deposition at 700 °C, while a L{sub B}more » of less than 1 mm was observed at temperatures lower than 500 °C.« less

Ultrathin, wafer-scale hexagonal boron nitride on dielectric surfaces by diffusion and segregation mechanism

NASA Astrophysics Data System (ADS)

Sonde, Sushant; Dolocan, Andrei; Lu, Ning; Corbet, Chris; Kim, Moon J.; Tutuc, Emanuel; Banerjee, Sanjay K.; Colombo, Luigi

2017-06-01

Chemical vapor deposition (CVD) of two-dimensional (2D) hexagonal boron nitride (h-BN) is at the center of numerous studies for its applications in novel electronic devices. However, a clear understanding of the growth mechanism is lacking for its wider industrial adoption on technologically relevant substrates such as SiO2. Here, we demonstrate a controllable growth method of thin, wafer scale h-BN films on arbitrary substrates. We also clarify the growth mechanism to be diffusion and surface segregation (D-SS) of boron (B) and nitrogen (N) in Ni and Co thin films on SiO2/Si substrates after exposure to diborane and ammonia precursors at high temperature. The segregation was found to be independent of the cooling rates employed in this report, and to our knowledge has not been found nor reported for 2D h-BN growth so far, and thus provides an important direction for controlled growth of h-BN. This unique segregation behavior is a result of a combined effect of high diffusivity, small film thickness and the inability to achieve extremely high cooling rates in CVD systems. The resulting D-SS h-BN films exhibit excellent electrical insulating behavior with an optical bandgap of about 5.8 eV. Moreover, graphene-on-h-BN field effect transistors using the as-grown D-SS h-BN films show a mobility of about 6000 cm2 V-1 s-1 at room temperature.

Boron Nitride Nanoribbons from Exfoliation of Boron Nitride Nanotubes

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh; Hurst, Janet; Santiago, Diana

2017-01-01

Two types of boron nitride nanotubes (BNNTs) were exfoliated into boron nitride nanoribbons (BNNR), which were identified using transmission electron microscopy: (1) commercial BNNTs with thin tube walls and small diameters. Tube unzipping was indicated by a large decrease of the sample's surface area and volume for pores less than 2 nm in diameter. (2) BNNTs with large diameters and thick walls synthesized at NASA Glenn Research Center. Here, tube unraveling was indicated by a large increase in external surface area and pore volume. For both, the exfoliation process was similar to the previous reported method to exfoliate commercial hexagonal boron nitride (hBN): Mixtures of BNNT, FeCl3, and NaF (or KF) were sequentially treated in 250 to 350 C nitrogen for intercalation, 500 to 750 C air for exfoliation, and finally HCl for purification. Property changes of the nanosized boron nitride throughout this process were also similar to the previously observed changes of commercial hBN during the exfoliation process: Both crystal structure (x-ray diffraction data) and chemical properties (Fourier-transform infrared spectroscopy data) of the original reactant changed after intercalation and exfoliation, but most (not all) of these changes revert back to those of the reactant once the final, purified products are obtained.

High Kinetic Energy Penetrator Shielding and High Wear Resistance Materials Fabricated with Boron Nitride Nanotubes (BNNTS) and BNNT Polymer Composites

NASA Technical Reports Server (NTRS)

Kang, Jin Ho (Inventor); Sauti, Godfrey (Inventor); Smith, Michael W. (Inventor); Jordan, Kevin C. (Inventor); Park, Cheol (Inventor); Bryant, Robert George (Inventor); Lowther, Sharon E. (Inventor)

2015-01-01

Boron nitride nanotubes (BNNTs), boron nitride nanoparticles (BNNPs), carbon nanotubes (CNTs), graphites, or combinations, are incorporated into matrices of polymer, ceramic or metals. Fibers, yarns, and woven or nonwoven mats of BNNTs are used as toughening layers in penetration resistant materials to maximize energy absorption and/or high hardness layers to rebound or deform penetrators. They can be also used as reinforcing inclusions combining with other polymer matrices to create composite layers like typical reinforcing fibers such as Kevlar.RTM., Spectra.RTM., ceramics and metals. Enhanced wear resistance and usage time are achieved by adding boron nitride nanomaterials, increasing hardness and toughness. Such materials can be used in high temperature environments since the oxidation temperature of BNNTs exceeds 800.degree. C. in air. Boron nitride based composites are useful as strong structural materials for anti-micrometeorite layers for spacecraft and space suits, ultra strong tethers, protective gear, vehicles, helmets, shields and safety suits/helmets for industry.

Chromium boron surfaced nickel-iron base alloys

NASA Technical Reports Server (NTRS)

Rashid, James M. (Inventor); Friedrich, Leonard A. (Inventor); Freling, Melvin (Inventor)

1984-01-01

Chromium boron diffusion coatings on nickel iron alloys uniquely provide them with improvement in high cycle fatigue strength (up to 30%) and erosion resistance (up to 15 times), compared to uncoated alloy. The diffused chromium layer extends in two essential concentration zones to a total depth of about 40.times.10.sup.-6 m, while the succeeding boron layer is limited to 50-90% of the depth of the richest Cr layer nearest the surface. Both coatings are applied using conventional pack diffusion processes.

Investigations on photoelectrochemical performance of boron doped ZnO nanorods synthesized by facile hydrothermal technique

NASA Astrophysics Data System (ADS)

Sharma, Akash; Chakraborty, Mohua; Thangavel, R.

2018-05-01

Undoped and 10% Boron (B)-doped Zinc Oxide nanorods (ZnO NRs) on Tin doped Indium Oxide (ITO) coated glass substrates were synthesized using facile sol-gel, spin coating and hydrothermal method. The impact of adding Boron on the structural, optical properties, surface morphology and photoelectrochemical (PEC) performances of the ZnO NRs have been investigated. The XRD pattern confirmed the formation of pure hexagonal phase with space group P63mc (186). The same can also be clearly observed form the FESEM images. The UV-Vis study shows the narrowing in band gap from 3.22 eV to 3.19 eV with incorporation of Boron in ZnO matrix. The B-doped ZnO NRs sample shows an enhanced photocurrent density of 1.31 mA/cm2 at 0.5 V (vs. Ag/AgCl), which is more than 171% enhancement compared to bare ZnO NRs (0.483 mA/cm2) in 0.1 M Na2SO4 aqueous solution. The results clearly indicates that the boron doped ZnO NRs can be used as an efficient photoelectrode material for photoelectrochemical cell.

Nanostructured Boron Nitride With High Water Dispersibility For Boron Neutron Capture Therapy

PubMed Central

Singh, Bikramjeet; Kaur, Gurpreet; Singh, Paviter; Singh, Kulwinder; Kumar, Baban; Vij, Ankush; Kumar, Manjeet; Bala, Rajni; Meena, Ramovatar; Singh, Ajay; Thakur, Anup; Kumar, Akshay

2016-01-01

Highly water dispersible boron based compounds are innovative and advanced materials which can be used in Boron Neutron Capture Therapy for cancer treatment (BNCT). Present study deals with the synthesis of highly water dispersible nanostructured Boron Nitride (BN). Unique and relatively low temperature synthesis route is the soul of present study. The morphological examinations (Scanning/transmission electron microscopy) of synthesized nanostructures showed that they are in transient phase from two dimensional hexagonal sheets to nanotubes. It is also supported by dual energy band gap of these materials calculated from UV- visible spectrum of the material. The theoretically calculated band gap also supports the same (calculated by virtual nano lab Software). X-ray diffraction (XRD) analysis shows that the synthesized material has deformed structure which is further supported by Raman spectroscopy. The structural aspect of high water disperse ability of BN is also studied. The ultra-high disperse ability which is a result of structural deformation make these nanostructures very useful in BNCT. Cytotoxicity studies on various cell lines (Hela(cervical cancer), human embryonic kidney (HEK-293) and human breast adenocarcinoma (MCF-7)) show that the synthesized nanostructures can be used for BNCT. PMID:27759052

Nanostructured Boron Nitride With High Water Dispersibility For Boron Neutron Capture Therapy

NASA Astrophysics Data System (ADS)

Singh, Bikramjeet; Kaur, Gurpreet; Singh, Paviter; Singh, Kulwinder; Kumar, Baban; Vij, Ankush; Kumar, Manjeet; Bala, Rajni; Meena, Ramovatar; Singh, Ajay; Thakur, Anup; Kumar, Akshay

2016-10-01

Highly water dispersible boron based compounds are innovative and advanced materials which can be used in Boron Neutron Capture Therapy for cancer treatment (BNCT). Present study deals with the synthesis of highly water dispersible nanostructured Boron Nitride (BN). Unique and relatively low temperature synthesis route is the soul of present study. The morphological examinations (Scanning/transmission electron microscopy) of synthesized nanostructures showed that they are in transient phase from two dimensional hexagonal sheets to nanotubes. It is also supported by dual energy band gap of these materials calculated from UV- visible spectrum of the material. The theoretically calculated band gap also supports the same (calculated by virtual nano lab Software). X-ray diffraction (XRD) analysis shows that the synthesized material has deformed structure which is further supported by Raman spectroscopy. The structural aspect of high water disperse ability of BN is also studied. The ultra-high disperse ability which is a result of structural deformation make these nanostructures very useful in BNCT. Cytotoxicity studies on various cell lines (Hela(cervical cancer), human embryonic kidney (HEK-293) and human breast adenocarcinoma (MCF-7)) show that the synthesized nanostructures can be used for BNCT.

Toward deep blue nano hope diamonds: heavily boron-doped diamond nanoparticles.

PubMed

Heyer, Steffen; Janssen, Wiebke; Turner, Stuart; Lu, Ying-Gang; Yeap, Weng Siang; Verbeeck, Jo; Haenen, Ken; Krueger, Anke

2014-06-24

The production of boron-doped diamond nanoparticles enables the application of this material for a broad range of fields, such as electrochemistry, thermal management, and fundamental superconductivity research. Here we present the production of highly boron-doped diamond nanoparticles using boron-doped CVD diamond films as a starting material. In a multistep milling process followed by purification and surface oxidation we obtained diamond nanoparticles of 10-60 nm with a boron content of approximately 2.3 × 10(21) cm(-3). Aberration-corrected HRTEM reveals the presence of defects within individual diamond grains, as well as a very thin nondiamond carbon layer at the particle surface. The boron K-edge electron energy-loss near-edge fine structure demonstrates that the B atoms are tetrahedrally embedded into the diamond lattice. The boron-doped diamond nanoparticles have been used to nucleate growth of a boron-doped diamond film by CVD that does not contain an insulating seeding layer.

Lattice-Matched Epitaxial Graphene Grown on Boron Nitride.

PubMed

Davies, Andrew; Albar, Juan D; Summerfield, Alex; Thomas, James C; Cheng, Tin S; Korolkov, Vladimir V; Stapleton, Emily; Wrigley, James; Goodey, Nathan L; Mellor, Christopher J; Khlobystov, Andrei N; Watanabe, Kenji; Taniguchi, Takashi; Foxon, C Thomas; Eaves, Laurence; Novikov, Sergei V; Beton, Peter H

2018-01-10

Lattice-matched graphene on hexagonal boron nitride is expected to lead to the formation of a band gap but requires the formation of highly strained material and has not hitherto been realized. We demonstrate that aligned, lattice-matched graphene can be grown by molecular beam epitaxy using substrate temperatures in the range 1600-1710 °C and coexists with a topologically modified moiré pattern with regions of strained graphene which have giant moiré periods up to ∼80 nm. Raman spectra reveal narrow red-shifted peaks due to isotropic strain, while the giant moiré patterns result in complex splitting of Raman peaks due to strain variations across the moiré unit cell. The lattice-matched graphene has a lower conductance than both the Frenkel-Kontorova-type domain walls and also the topological defects where they terminate. We relate these results to theoretical models of band gap formation in graphene/boron nitride heterostructures.

Heavily Boron-Doped Silicon Layer for the Fabrication of Nanoscale Thermoelectric Devices

PubMed Central

Liu, Yang; Deng, Lingxiao; Zhang, Mingliang; Zhang, Shuyuan; Ma, Jing; Song, Peishuai; Liu, Qing; Ji, An; Yang, Fuhua; Wang, Xiaodong

2018-01-01

Heavily boron-doped silicon layers and boron etch-stop techniques have been widely used in the fabrication of microelectromechanical systems (MEMS). This paper provides an introduction to the fabrication process of nanoscale silicon thermoelectric devices. Low-dimensional structures such as silicon nanowire (SiNW) have been considered as a promising alternative for thermoelectric applications in order to achieve a higher thermoelectric figure of merit (ZT) than bulk silicon. Here, heavily boron-doped silicon layers and boron etch-stop processes for the fabrication of suspended SiNWs will be discussed in detail, including boron diffusion, electron beam lithography, inductively coupled plasma (ICP) etching and tetramethylammonium hydroxide (TMAH) etch-stop processes. A 7 μm long nanowire structure with a height of 280 nm and a width of 55 nm was achieved, indicating that the proposed technique is useful for nanoscale fabrication. Furthermore, a SiNW thermoelectric device has also been demonstrated, and its performance shows an obvious reduction in thermal conductivity. PMID:29385759

Photoinduced doping in heterostructures of graphene and boron nitride.

PubMed

Ju, L; Velasco, J; Huang, E; Kahn, S; Nosiglia, C; Tsai, Hsin-Zon; Yang, W; Taniguchi, T; Watanabe, K; Zhang, Y; Zhang, G; Crommie, M; Zettl, A; Wang, F

2014-05-01

The design of stacks of layered materials in which adjacent layers interact by van der Waals forces has enabled the combination of various two-dimensional crystals with different electrical, optical and mechanical properties as well as the emergence of novel physical phenomena and device functionality. Here, we report photoinduced doping in van der Waals heterostructures consisting of graphene and boron nitride layers. It enables flexible and repeatable writing and erasing of charge doping in graphene with visible light. We demonstrate that this photoinduced doping maintains the high carrier mobility of the graphene/boron nitride heterostructure, thus resembling the modulation doping technique used in semiconductor heterojunctions, and can be used to generate spatially varying doping profiles such as p-n junctions. We show that this photoinduced doping arises from microscopically coupled optical and electrical responses of graphene/boron nitride heterostructures, including optical excitation of defect transitions in boron nitride, electrical transport in graphene, and charge transfer between boron nitride and graphene.

The origins of near band-edge transitions in hexagonal boron nitride epilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Du, X. Z.; Li, J.; Lin, J. Y.

2016-02-01

Photoluminescence spectroscopy has been employed to probe the near band-edge transitions in hexagonal BN (h-BN) epilayers synthesized under varying ammonia flow rates. The results suggest that the quasi-donor-acceptor pair emission line at 5.3 eV is due to the transition between the nitrogen vacancy and a deep acceptor, whereas the 5.5 eV emission line is due to the recombination of an exciton bound to a deep acceptor formed by carbon impurity occupying the nitrogen site. By growing h-BN under high ammonia flow rates, nitrogen vacancy related peaks can be eliminated and epilayers exhibiting pure free exciton emission have been obtained.

High-Performance Few-layer Mo-doped ReSe2 Nanosheet Photodetectors

PubMed Central

Yang, Shengxue; Tongay, Sefaattin; Yue, Qu; Li, Yongtao; Li, Bo; Lu, Fangyuan

2014-01-01

Transition metal dichalcogenides (TMDCs) have recently been the focus of extensive research activity owing to their fascinating physical properties. As a new member of TMDCs, Mo doped ReSe2 (Mo:ReSe2) is an octahedral structure semiconductor being optically biaxial and highly anisotropic, different from most of hexagonal layered TMDCs with optically uniaxial and relatively high crystal symmetry. We investigated the effects of physisorption of gas molecule on the few-layer Mo:ReSe2 nanosheet based photodetectors. We compared the photoresponse of the as-exfoliated device with annealed device both in air or ammonia (NH3) environment. After annealing at sub-decomposition temperatures, the Mo:ReSe2 photodetectors show a better photoresponsivity (~55.5 A/W) and higher EQE (10893%) in NH3 than in air. By theoretical investigation, we conclude that the physisorption of NH3 molecule on Mo:ReSe2 monolayer can cause the charge transfer between NH3 molecule and Mo:ReSe2 monolayer, increasing the n-type carrier density of Mo:ReSe2 monolayer. The prompt photoswitching, high photoresponsivity and different sensitivity to surrounding environment from the few-layer anisotropic Mo:ReSe2 can be used to design multifunctional optoelectronic and sensing devices. PMID:24962077

Ultrafast Graphene Light Emitters.

PubMed

Kim, Young Duck; Gao, Yuanda; Shiue, Ren-Jye; Wang, Lei; Aslan, Ozgur Burak; Bae, Myung-Ho; Kim, Hyungsik; Seo, Dongjea; Choi, Heon-Jin; Kim, Suk Hyun; Nemilentsau, Andrei; Low, Tony; Tan, Cheng; Efetov, Dmitri K; Taniguchi, Takashi; Watanabe, Kenji; Shepard, Kenneth L; Heinz, Tony F; Englund, Dirk; Hone, James

2018-02-14

Ultrafast electrically driven nanoscale light sources are critical components in nanophotonics. Compound semiconductor-based light sources for the nanophotonic platforms have been extensively investigated over the past decades. However, monolithic ultrafast light sources with a small footprint remain a challenge. Here, we demonstrate electrically driven ultrafast graphene light emitters that achieve light pulse generation with up to 10 GHz bandwidth across a broad spectral range from the visible to the near-infrared. The fast response results from ultrafast charge-carrier dynamics in graphene and weak electron-acoustic phonon-mediated coupling between the electronic and lattice degrees of freedom. We also find that encapsulating graphene with hexagonal boron nitride (hBN) layers strongly modifies the emission spectrum by changing the local optical density of states, thus providing up to 460% enhancement compared to the gray-body thermal radiation for a broad peak centered at 720 nm. Furthermore, the hBN encapsulation layers permit stable and bright visible thermal radiation with electronic temperatures up to 2000 K under ambient conditions as well as efficient ultrafast electronic cooling via near-field coupling to hybrid polaritonic modes under electrical excitation. These high-speed graphene light emitters provide a promising path for on-chip light sources for optical communications and other optoelectronic applications.

Stark shift and electric-field-induced dissociation of excitons in monolayer MoS2 and h BN /MoS2 heterostructures

NASA Astrophysics Data System (ADS)

Haastrup, Sten; Latini, Simone; Bolotin, Kirill; Thygesen, Kristian S.

2016-07-01

Efficient conversion of photons into electrical current in two-dimensional semiconductors requires, as a first step, the dissociation of the strongly bound excitons into free electrons and holes. Here we calculate the dissociation rates and energy shift of excitons in monolayer MoS2 as a function of an applied in-plane electric field. The dissociation rates are obtained as the inverse lifetime of the resonant states of a two-dimensional hydrogenic Hamiltonian which describes the exciton within the Mott-Wannier model. The resonances are computed using complex scaling, and the effective masses and screened electron-hole interaction defining the hydrogenic Hamiltonian are computed from first principles. For field strengths above 0.1 V/nm the dissociation lifetime is shorter than 1 ps, which is below the lifetime associated with competing decay mechanisms. Interestingly, encapsulation of the MoS2 layer in just two layers of hexagonal boron nitride (h BN ), enhances the dissociation rate by around one order of magnitude due to the increased screening. This shows that dielectric engineering is an effective way to control exciton lifetimes in two-dimensional materials.

Functionalized hexagonal boron nitride nano-coatings for protection of transparent plastics

NASA Astrophysics Data System (ADS)

Van Tran, Thu; Usta, Aybala; Asmatulu, Ramazan

2016-04-01

Nanocoating is the result of a coating application of nanomaterials to build a consistent network of molecules in a paint to protect the surfaces of various materials and devices. Hexagonal Boron Nitride (h-BN) is in two dimensional form with excellent thermal, mechanical and chemical properties. These BN nanocoatings are also a thermally insulating material for heat management. After adding functionalized h-BNs into paints or other coatings, they will absorb the harmful UV part of sunlight and prevent coating against the environmental degradations. The impacts of the environmental factors on the coatings can be substantially eliminated. In the present study, h-BNs were modified with [2-(2-Aminoethylamino) propyl] trimethoxysilane and uniformly dispersed into the polyurethane coatings with different amounts, such as 0.1, 0.2, 0.4, and 0.8wt% to increase hardness and water resistance, and decrease the UV degradation level of coatings and transparent plastics. The prepared samples were characterized by using Fourier Transform Infrared Spectroscopy (FTIR), UV-Vis Spectroscopy, Scanning Electron Microscope (SEM), Water Contact Angle, and Differential Scanning Calorimeter (DSC). The test results showed that the nanocoatings with functionalized h-BN provided excellent physical and chemical behaviors against the UV and other physical degradations on the substrates.

Large-scale synthesis of high-quality hexagonal boron nitride nanosheets for large-area graphene electronics.

PubMed

Lee, Kang Hyuck; Shin, Hyeon-Jin; Lee, Jinyeong; Lee, In-yeal; Kim, Gil-Ho; Choi, Jae-Young; Kim, Sang-Woo

2012-02-08

Hexagonal boron nitride (h-BN) has received a great deal of attention as a substrate material for high-performance graphene electronics because it has an atomically smooth surface, lattice constant similar to that of graphene, large optical phonon modes, and a large electrical band gap. Herein, we report the large-scale synthesis of high-quality h-BN nanosheets in a chemical vapor deposition (CVD) process by controlling the surface morphologies of the copper (Cu) catalysts. It was found that morphology control of the Cu foil is much critical for the formation of the pure h-BN nanosheets as well as the improvement of their crystallinity. For the first time, we demonstrate the performance enhancement of CVD-based graphene devices with large-scale h-BN nanosheets. The mobility of the graphene device on the h-BN nanosheets was increased 3 times compared to that without the h-BN nanosheets. The on-off ratio of the drain current is 2 times higher than that of the graphene device without h-BN. This work suggests that high-quality h-BN nanosheets based on CVD are very promising for high-performance large-area graphene electronics. © 2012 American Chemical Society

Measuring the dielectric and optical response of millimeter-scale amorphous and hexagonal boron nitride films grown on epitaxial graphene.

PubMed

Rigosi, Albert F; Hill, Heather M; Glavin, Nicholas R; Pookpanratana, Sujitra J; Yang, Yanfei; Boosalis, Alexander G; Hu, Jiuning; Rice, Anthony; Allerman, Andrew A; Nguyen, Nhan V; Hacker, Christina A; Elmquist, Randolph E; Hight Walker, Angela R; Newell, David B

2018-01-01

Monolayer epitaxial graphene (EG), grown on the Si face of SiC, is an advantageous material for a variety of electronic and optical applications. EG forms as a single crystal over millimeter-scale areas and consequently, the large scale single crystal can be utilized as a template for growth of other materials. In this work, we present the use of EG as a template to form millimeter-scale amorphous and hexagonal boron nitride ( a -BN and h -BN) films. The a -BN is formed with pulsed laser deposition and the h -BN is grown with triethylboron (TEB) and NH 3 precursors, making it the first metal organic chemical vapor deposition (MOCVD) process of this growth type performed on epitaxial graphene. A variety of optical and non-optical characterization methods are used to determine the optical absorption and dielectric functions of the EG, a -BN, and h -BN within the energy range of 1 eV to 8.5 eV. Furthermore, we report the first ellipsometric observation of high-energy resonant excitons in EG from the 4H polytype of SiC and an analysis on the interactions within the EG and h -BN heterostructure.

Synthesis of large-area multilayer hexagonal boron nitride for high material performance

PubMed Central

Kim, Soo Min; Hsu, Allen; Park, Min Ho; Chae, Sang Hoon; Yun, Seok Joon; Lee, Joo Song; Cho, Dae-Hyun; Fang, Wenjing; Lee, Changgu; Palacios, Tomás; Dresselhaus, Mildred; Kim, Ki Kang; Lee, Young Hee; Kong, Jing

2015-01-01

Although hexagonal boron nitride (h-BN) is a good candidate for gate-insulating materials by minimizing interaction from substrate, further applications to electronic devices with available two-dimensional semiconductors continue to be limited by flake size. While monolayer h-BN has been synthesized on Pt and Cu foil using chemical vapour deposition (CVD), multilayer h-BN is still absent. Here we use Fe foil and synthesize large-area multilayer h-BN film by CVD with a borazine precursor. These films reveal strong cathodoluminescence and high mechanical strength (Young's modulus: 1.16±0.1 TPa), reminiscent of formation of high-quality h-BN. The CVD-grown graphene on multilayer h-BN film yields a high carrier mobility of ∼24,000 cm2 V−1 s−1 at room temperature, higher than that (∼13,000 2 V−1 s−1) with exfoliated h-BN. By placing additional h-BN on a SiO2/Si substrate for a MoS2 (WSe2) field-effect transistor, the doping effect from gate oxide is minimized and furthermore the mobility is improved by four (150) times. PMID:26507400

Tribological evaluation of hexagonal boron nitride in modified jatropha oil as sustainable metalworking fluid

NASA Astrophysics Data System (ADS)

Talib, Norfazillah; Rahim, Erween Abd.; Nasir, Ramdziah Md.

2017-11-01

The used of metalworking fluids (MWFs) from petroleum-based oil during machining process contributed negative impact to the humans and environment. Therefore, bio-based oil from vegetable oil was recently explored as an alternative solution to petroleum-based oil to implement sustainable manufacturing process. In this study, modified jatropha oil (MJO5) with and without hexagonal boron nitride (hBN) particles were evaluated through friction and wear test and orthogonal cutting performance in comparison with synthetic ester (SE). MJO5 were mixed with hBN particles at various concentrations (i.e. 0.05, 0.1 and 0.5wt.%). Experimental results showed that the addition of 0.05wt.% of hBN particles in MJO5 (MJO5a) provided lowest coefficient of friction (COF) and smallest wear scar diameter (WSD). MJO5a has the best anti-friction ability by reducing the cutting force and cutting temperature which related to the formation of thinner chips and small tool-chip contact length. MJO5a is the best substitute to SE as sustainable MWFs in the machining operation in regards to the environmental and health concern.

Anode performance of boron-doped graphites prepared from shot and sponge cokes

NASA Astrophysics Data System (ADS)

Liu, Tao; Luo, Ruiying; Yoon, Seong-Ho; Mochida, Isao

The structures and anode performances of graphitized pristine and boron-doped shot and sponge cokes have been comparatively studied by means of scanning electron microscope (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and galvanostatic measurement. The results show that high degree of graphitization can be obtained by the substituted boron atom in the carbon lattice, and boron in the resultant boron-doped graphites mainly exist in the form of boron carbide and boron substituted in the carbon lattice. Both of boron-doped graphites from shot and sponge cokes obtain discharge capacity of 350 mAh g -1 and coulombic efficiency above 90%. Apart from commonly observed discharge plateau for graphite, boron-doped samples in this study also show a small plateau at ca. 0.06 V. This phenomenon can be explained that Li ion stores in the site to be void-like spaces that are produced by "molecular bridging" between the edge sites of graphene layer stack with a release of boron atoms substituted at the edge of graphene layer. The effect of the amount of boron dopant and graphitization temperature on the anode performance of boron-doped graphite are also investigated in this paper.

The boron-tailing myth in hydrogenated amorphous silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stuckelberger, M., E-mail: michael.stuckelberger@alumni.ethz.ch; Bugnon, G.; Despeisse, M.

The boron-tailing effect in hydrogenated amorphous silicon (a-Si:H) solar cells describes the reduced charge collection specifically in the blue part of the spectrum for absorber layers deposited above a critical temperature. This effect limits the device performance of state-of-the art solar cells: For enhanced current density (reduced bandgap), the deposition temperature should be as high as possible, but boron tailing gets detrimental above 200 °C. To investigate this limitation and to show potential paths to overcome it, we deposited high-efficiency a-Si:H solar cells, varying the deposition temperatures of the p-type and the intrinsic absorber (i) layers between 150 and 250 °C. Usingmore » secondary ion mass spectroscopy, we study dedicated stacks of i-p-i layers deposited at different temperatures. This allows us to track boron diffusion at the p-i and i-p interfaces as they occur in the p-i-n and n-i-p configurations of a-Si:H solar cells for different deposition conditions. Finally, we prove step-by-step that the common explanation for boron tailing—boron diffusion from the p layer into the i layer leading to enhanced recombination—is not generally true and propose an alternative explanation for the experimentally observed drop in the external quantum efficiency at short wavelengths.« less

A new superhard material: Osmium diboride OsB 2

NASA Astrophysics Data System (ADS)

Hebbache, M.; Stuparević, L.; Živković, D.

2006-08-01

Superhard materials have many industrial applications, wherever resistance to abrasion and wear are important. The synthesis of new superhard materials is one of the great challenges to scientists. We re-examined the phase diagram of the binary osmium-boron system and confirmed the existence of two hexagonal phases, OsB 1.1, Os 2B 3, and an orthorhombic phase, OsB 2. Almost nothing is known about the physical properties of osmium borides. Microhardness measurements show that OsB 2 is extremely hard. Ab initio calculations show that this is due to formation of covalent bonds between boron atoms. OsB 2 is also a low compressibility material. It can be used as hard coating.

CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Research on the boron contamination at the p/i interface of microcrystalline silicon solar cells deposited in a single PECVD chamber

NASA Astrophysics Data System (ADS)

Zhang, Xiao-Dan; Sun, Fu-He; Wei, Chang-Chun; Sun, Jian; Zhang, De-Kun; Geng, Xin-Hua; Xiong, Shao-Zhen; Zhao, Ying

2009-10-01

This paper studies boron contamination at the interface between the p and i layers of μc-Si:H solar cells deposited in a single-chamber PECVD system. The boron depth profile in the i layer was measured by Secondary Ion Mass Spectroscopy. It is found that the mixed-phase μc-Si:H materials with 40% crystalline volume fraction is easy to be affected by the residual boron in the reactor. The experimental results showed that a 500-nm thick μc-Si:H covering layer or a 30-seconds of hydrogen plasma treatment can effectively reduce the boron contamination at the p/i interface. However, from viewpoint of cost reduction, the hydrogen plasma treatment is desirable for solar cell manufacture because the substrate is not moved during the hydrogen plasma treatment.

Process for microwave sintering boron carbide

DOEpatents

Holcombe, C.E.; Morrow, M.S.

1993-10-12

A method of microwave sintering boron carbide comprises leaching boron carbide powder with an aqueous solution of nitric acid to form a leached boron carbide powder. The leached boron carbide powder is coated with a glassy carbon precursor to form a coated boron carbide powder. The coated boron carbide powder is consolidated in an enclosure of boron nitride particles coated with a layer of glassy carbon within a container for microwave heating to form an enclosed coated boron carbide powder. The enclosed coated boron carbide powder is sintered within the container for microwave heating with microwave energy.

Process for microwave sintering boron carbide

DOEpatents

Holcombe, Cressie E.; Morrow, Marvin S.

1993-01-01

A method of microwave sintering boron carbide comprises leaching boron carbide powder with an aqueous solution of nitric acid to form a leached boron carbide powder. The leached boron carbide powder is coated with a glassy carbon precursor to form a coated boron carbide powder. The coated boron carbide powder is consolidated in an enclosure of boron nitride particles coated with a layer of glassy carbon within a container for microwave heating to form an enclosed coated boron carbide powder. The enclosed coated boron carbide powder is sintered within the container for microwave heating with microwave energy.

All-boron fullerene exhibits a strong affinity to inorganic anions

NASA Astrophysics Data System (ADS)

Colherinhas, Guilherme; Fileti, Eudes Eterno; Chaban, Vitaly V.

2017-03-01

Experimentally observed all-boron fullerene, B-80, inspires systematic investigation of its physical chemical properties and search for possible applications. We hereby report density functional theory calculations to characterize interactions of B-80 with the selected imidazolium room-temperature ionic liquids (RTILs), dimethylimidazolium nitrate and dimethylimidazolium hexafluorophosphate. Whereas the imidazolium cation exhibits a rather poor affinity to B-80, the inorganic anions form polar covalent bonds with the boron atom occupying a central position within a B-6 hexagon. Attachment of the RTIL ion pairs leads to a significant alteration of the electronic spectra, charge density distribution, valence and conduction molecular orbitals. The total binding energies keeping the RTIL@B80 complexes together range 200-250 kcal mol-1, being higher than the energies of many interactions in chemistry. The observed phenomenon predicts an excellent solubility of B-80 in the considered RTILs, but may also reveal a poor stability of B-80 in the polar media. Our results motivate further efforts in studying the behavior of the all-boron fullerene in polar environments.

Low resolution crystal structure of Arenicola erythrocruorin: influence of coiled coils on the architecture of a megadalton respiratory protein.

PubMed

Royer, William E; Omartian, Michael N; Knapp, James E

2007-01-05

Annelid erythrocruorins are extracellular respiratory complexes assembled from 180 subunits into hexagonal bilayers. Cryo-electron microscopic experiments have identified two different architectural classes. In one, designated type I, the vertices of the two hexagonal layers are partially staggered, with one hexagonal layer rotated by about 16 degrees relative to the other layer, whereas in the other class, termed type II, the vertices are essentially eclipsed. We report here the first crystal structure of a type II erythrocruorin, that from Arenicola marina, at 6.2 A resolution. The structure reveals the presence of long continuous triple-stranded coiled-coil "spokes" projecting towards the molecular center from each one-twelfth unit; interdigitation of these spokes provides the only contacts between the two hexagonal layers of the complex. This arrangement contrasts with that of a type I erythrocruorin from Lumbricus terrestris in which the spokes are broken into two triple-stranded coiled coils with a disjointed connection. The disjointed connection allows formation of a more compact structure in the type I architecture, with the two hexagonal layers closer together and additional extensive contacts between the layers. Comparison of sequences of the coiled-coil regions of various linker subunits shows that the linker subunits from type II erythrocruorins possess continuous heptad repeats, whereas a sequence gap places these repeats out of register in the type I linker subunits, consistent with a disjointed coiled-coil arrangement.

Atomic composition and electrical characteristics of epitaxial CVD diamond layers doped with boron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Surovegina, E. A., E-mail: suroveginaka@ipmras.ru; Demidov, E. V.; Drozdov, M. N.

2016-12-15

The results of analysis of the atomic composition, doping level, and hole mobility in epitaxial diamond layers when doped with boron are reported. The layers are produced by chemical-vapor deposition. The possibilities of uniform doping with boron to a level in the range 5 × 10{sup 17} to ~10{sup 20} at cm{sup –3} and of δ doping to the surface concentration (0.3–5) × 10{sup 13} at cm{sup –3} are shown. The conditions for precision ion etching of the structures are determined, and barrier and ohmic contacts to the layers are formed.

Corrosion and wear behaviors of boronized AISI 316L stainless steel

NASA Astrophysics Data System (ADS)

Kayali, Yusuf; Büyüksaǧiş, Aysel; Yalçin, Yılmaz

2013-09-01

In this study, the effects of a boronizing treatment on the corrosion and wear behaviors of AISI 316L austenitic stainless steel (AISI 316L) were examined. The corrosion behavior of the boronized samples was studied via electrochemical methods in a simulation body fluid (SBF) and the wear behavior was examined using the ball-on-disk wear method. It was observed that the boride layer that formed on the AISI 316L surface had a flat and smooth morphology. Furthermore, X-ray diffraction analyses show that the boride layer contained FeB, Fe2B, CrB, Cr2B, NiB, and Ni2B phases. Boride layer thickness increased with an increasing boronizing temperature and time. The boronizing treatment also increased the surface hardness of the AISI 316L. Although there was no positive effect of the coating on the corrosion resistance in the SBF medium. Furthermore, a decrease in the friction coefficient was recorded for the boronized AISI 316L. As the boronizing temperature increased, the wear rate decreased in both dry and wet mediums. As a result, the boronizing treatment contributed positively to the wear resistance by increasing the surface hardness and by decreasing the friction coefficient of the AISI 316L.

Two Possible Ways Boron Got into Veins on Mount Sharp

NASA Image and Video Library

2016-12-13

This graphic portrays two hypotheses about how the element boron ended up in calcium sulfate veins found within mudstone layers of the Murray formation on Mars' lower Mount Sharp. Hypothesis A is presented left-to-right in the upper four panels; hypothesis B in the lower four. Note that the two final panels are identical, depicting conditions found by NASA's Curiosity Mars rover. Calcium sulfate is the veins' main ingredient. The mudstone matrix around the veins resulted from deposition of sediments in a lake environment in Mars' Gale Crater billions of years ago. In hypothesis A: (1) Boron dissolved in the lake and was incorporated into the lake bottom clays that became the Murray formation. (2) The lake then dried and the bedrock fractured. (3) Later groundwater interacted with the clays under conditions that released the boron into the groundwater. (4) Then, the boron was deposited along with the calcium sulfate that makes up the bulk of these veins. In hypothesis B: (1) Boron was not incorporated into the clays as the lake was active. (2) Instead, when the lake dried out, it left a layer of boron-containing salts, and likely other types of salts, such as sodium chloride (table salt) and calcium sulfates, in an overlying layer that Curiosity has not yet visited. The bedrock fractured. (3) Groundwater later dissolved this layer of evaporite salts and moved the salts down into the older layers the rover has investigated. (4) The groundwater deposited the evaporite salts with the calcium sulfate that makes up the bulk of these veins. http://photojournal.jpl.nasa.gov/catalog/PIA21253

Photovoltaic Device Including A Boron Doping Profile In An I-Type Layer

DOEpatents

Yang, Liyou

1993-10-26

A photovoltaic cell for use in a single junction or multijunction photovoltaic device, which includes a p-type layer of a semiconductor compound including silicon, an i-type layer of an amorphous semiconductor compound including silicon, and an n-type layer of a semiconductor compound including silicon formed on the i-type layer. The i-type layer including an undoped first sublayer formed on the p-type layer, and a boron-doped second sublayer formed on the first sublayer.

Impact of a boron rich layer on minority carrier lifetime degradation in boron spin-on dopant diffused n-type crystalline silicon solar cells

NASA Astrophysics Data System (ADS)

Singha, Bandana; Singh Solanki, Chetan

2016-03-01

In the production of n-type crystalline silicon solar cells with boron diffused emitters, the formation of a boron rich layer (BRL) is a common phenomenon and is largely responsible for bulk lifetime degradation. The phenomenon of BRL formation during diffusion of boron spin-on dopant and its impact on bulk lifetime degradation are investigated in this work. The BRL formed beneath the borosilicate glass layer has thicknesses varying from 10 nm-150 nm depending on the diffusion conditions. The effective and bulk minority carrier lifetimes, measured with Al2O3 deposited layers and a quinhydron-methanol solution, show that carrier lifetime degradation is proportional to the BRL thicknesses and their surface recombination velocities. The controlled diffusion processes and different oxidation techniques used in this work can partially reduce the BRL thickness and improve carrier lifetime by more than 10%. But for BRL thicknesses higher than 50 nm, different etching techniques further lower the carrier lifetime and the degradation in the device cannot be recovered.

Deposition of Boron in Possible Evaporite Deposits in Gale Crate

NASA Astrophysics Data System (ADS)

Gasda, P. J.; Peets, E.; Lamm, S. N.; Rapin, W.; Lanza, N.; Frydenvang, J.; Clark, B. C.; Herkenhoff, K. E.; Bridges, J.; Schwenzer, S. P.; Haldeman, E. B.; Wiens, R. C.; Maurice, S.; Clegg, S. M.; Delapp, D.; Sanford, V.; Bodine, M. R.; McInroy, R.

2017-12-01

Boron has been previously detected in Gale crater using the ChemCam instrument on board the NASA Curiosity rover within calcium sulfate fracture fill hosted by lacustrine mudstone and eolian sandstone units. Recent results show that up to 300 ppm B is present in the upper sections of the lacustrine unit. Boron has been detected in both the groundwater-emplaced calcium sulfate fracture fill materials and bedding-parallel calcium sulfate layers. The widespread bedding-parallel calcium sulfate layers within the upper strata of the lacustrine bedrock that Curiosity has encountered recently could be interpreted as primary evaporite deposits. We have two hypotheses for the history of boron in Gale crater. In both hypotheses, borates were first deposited as lake water evaporated, depositing primary evaporates that were later re-dissolved by groundwater, which redistributed the boron into secondary evaporitic calcium sulfate fracture fill deposits. In the first scenario, Gale crater may have undergone a period of perennial lake formation during a drier period of martian history, depositing layers of evaporitic minerals (including borates) among lacustrine mudstone layers. In the second scenario, lake margins could have become periodically exposed during cyclic drops in lake level and subsequently desiccated. Evaporites were deposited and desiccation features were formed in lowstand deposits. Either hypothetical scenario of evaporite deposition would promote prebiotic chemical reactions via wet-dry cycles. Boron may be an important prebiotic element, and as such, its presence in ancient martian surface and groundwater provides evidence that important prebiotic chemical reactions could occur on Mars if organics were present. The presence of boron in ancient Gale crater groundwater also provides additional evidence that a habitable environment existed in the martian subsurface well after the expected disappearance of liquid water on the surface of Mars. We will report on the most recent results for boron in relation to these bedding-parallel calcium sulfate layers and lowstand deposits. If a connection between observations of boron and lowstand lake features is found, this would suggest the existence of boron-bearing lake-deposited evaporites in Gale.

Single photon emitters in boron nitride: More than a supplementary material

NASA Astrophysics Data System (ADS)

Koperski, M.; Nogajewski, K.; Potemski, M.

2018-03-01

We present comprehensive optical studies of recently discovered single photon sources in boron nitride, which appear in form of narrow lines emitting centres. Here, we aim to compactly characterise their basic optical properties, including the demonstration of several novel findings, in order to inspire discussion about their origin and utility. Initial inspection reveals the presence of narrow emission lines in boron nitride powder and exfoliated flakes of hexagonal boron nitride deposited on Si/SiO2 substrates. Generally rather stable, the boron nitride emitters constitute a good quality visible light source. However, as briefly discussed, certain specimens reveal a peculiar type of blinking effects, which are likely related to existence of meta-stable electronic states. More advanced characterisation of representative stable emitting centres uncovers a strong dependence of the emission intensity on the energy and polarisation of excitation. On this basis, we speculate that rather strict excitation selectivity is an important factor determining the character of the emission spectra, which allows the observation of single and well-isolated emitters. Finally, we investigate the properties of the emitting centres in varying external conditions. Quite surprisingly, it is found that the application of a magnetic field introduces no change in the emission spectra of boron nitride emitters. Further analysis of the impact of temperature on the emission spectra and the features seen in second-order correlation functions is used to provide an assessment of the potential functionality of boron nitride emitters as single photon sources capable of room temperature operation.

Hyperbolic polaritons in nanoparticles

NASA Astrophysics Data System (ADS)

Sun, Zhiyuan; Rubio, Angel; Guinea, Francisco; Basov, Dimitri; Fogler, Michael

2015-03-01

Hyperbolic optical materials (HM) are characterized by permittivity tensor that has both positive and negative principal values. Collective electromagnetic modes (polaritons) of HM have novel properties promising for various applications including subdiffractional imaging and on-chip optical communication. Hyperbolic response is actively investigated in the context of metamaterials, anisotropic polar insulators, and layered superconductors. We study polaritons in spheroidal HM nanoparticles using Hamiltonian optics. The field equations are mapped to classical dynamics of fictitious particles (wave packets) of an indefinite Hamiltonian. This dynamics is quantized using the Einstein-Brillouin-Keller quantization rule. The eigenmodes are classified as either bulk or surface according to whether their transverse momenta are real or imaginary. To model how such hyperbolic polaritons can be probed by near-field experiments, we compute the field distribution induced inside and outside the spheroid by an external point dipole. At certain magic frequencies the field shows striking geometric patterns whose origin is traced to the classical periodic orbits. The theory is applied to natural hyperbolic materials hexagonal boron nitride and superconducting LaSrCuO.

Lattices for fractional Chern insulators

NASA Astrophysics Data System (ADS)

Repellin, Cécile; Regnault, Nicolas

2018-04-01

Individual electrons are elementary particles, but in some solid-state systems, electrons can act collectively as though they had a fraction of an electron's charge. This emergent behavior is spectacularly observed in two-dimensional (2D) electron gases as the fractional quantum Hall (FQH) effect in the form of a fractional quantized transverse (or Hall) conductivity and in shot-noise experiments. These experiments require low temperatures and very large magnetic fields in order to create strong electron interactions. This latter condition now appears not to be as essential as originally thought. On page 62 of this issue, Spanton et al. (1) report on an experimental platform based on bilayer graphene that forms a moiré pattern with an encapsulating hexagonal boron nitride layer. They observed incompressible phases with a fractional filling of the band structure with a nonzero Chern number (it has quantized properties robust to local perturbations, or topologically invariant). Some of which have no analog in traditional FQH systems (see the figure).

Photocurrent measurements in Coupled Quantum Well van der Waals Heterostructures made of 2D Transition Metal Dichalcogenides

NASA Astrophysics Data System (ADS)

Joe, Andrew; Jauregui, Luis; High, Alex; Dibos, Alan; Gulpinar, Elgin; Pistunova, Kateryna; Park, Hongkun; Kim, Philip

, Luis A. Jauregui, Alex A. High, Alan Dibos, Elgin Gulpinar, Kateryna Pistunova, Hongkun Park, Philip Kim Harvard University, Physics Department -abstract- Single layer transition metal dichalcogenides (TMDC) are 2-dimensional (2D) semiconductors van der Waals (vdW) characterized by a direct optical bandgap in the visible wavelength (~2 eV). Characterization of the band alignment between TMDC and the barrier is important for the fabrication of tunneling devices. Here, we fabricate coupled quantum well (CQW) heterostructures made of 2D TMDCs with hexagonal Boron nitride (hBN) as an atomically thin barrier and gate dielectric and with top and bottom metal (or graphite) as gate electrodes. We observe a clear dependence of the photo-generated current with varying hBN thickness, electrode workfunctions, electric field, laser excitation power, excitation wavelength, and temperature. We will discuss the implication of photocurrent in relation to quantum transport process across the vdW interfaces.

Probing nonlocal effects in metals with graphene plasmons

NASA Astrophysics Data System (ADS)

Dias, Eduardo J. C.; Iranzo, David Alcaraz; Gonçalves, P. A. D.; Hajati, Yaser; Bludov, Yuliy V.; Jauho, Antti-Pekka; Mortensen, N. Asger; Koppens, Frank H. L.; Peres, N. M. R.

2018-06-01

In this paper, we analyze the effects of nonlocality on the optical properties of a system consisting of a thin metallic film separated from a graphene sheet by a hexagonal boron nitride (hBN) layer. We show that nonlocal effects in the metal have a strong impact on the spectrum of the surface plasmon-polaritons on graphene. If the graphene sheet is nanostructured into a periodic grating, we show that the resulting extinction curves can be used to shed light on the importance of nonlocal effects in metals. Therefore graphene surface plasmons emerge as a tool for probing nonlocal effects in metallic nanostructures, including thin metallic films. As a byproduct of our study, we show that nonlocal effects may lead to smaller losses for the graphene plasmons than what is predicted by a local calculation. Finally, we demonstrate that such nonlocal effects can be very well mimicked using a local theory with an effective spacer thickness larger than its actual value.

Understanding and controlling the substrate effect on graphene electron-transfer chemistry via reactivity imprint lithography

NASA Astrophysics Data System (ADS)

Wang, Qing Hua; Jin, Zhong; Kim, Ki Kang; Hilmer, Andrew J.; Paulus, Geraldine L. C.; Shih, Chih-Jen; Ham, Moon-Ho; Sanchez-Yamagishi, Javier D.; Watanabe, Kenji; Taniguchi, Takashi; Kong, Jing; Jarillo-Herrero, Pablo; Strano, Michael S.

2012-09-01

Graphene has exceptional electronic, optical, mechanical and thermal properties, which provide it with great potential for use in electronic, optoelectronic and sensing applications. The chemical functionalization of graphene has been investigated with a view to controlling its electronic properties and interactions with other materials. Covalent modification of graphene by organic diazonium salts has been used to achieve these goals, but because graphene comprises only a single atomic layer, it is strongly influenced by the underlying substrate. Here, we show a stark difference in the rate of electron-transfer reactions with organic diazonium salts for monolayer graphene supported on a variety of substrates. Reactions proceed rapidly for graphene supported on SiO2 and Al2O3 (sapphire), but negligibly on alkyl-terminated and hexagonal boron nitride (hBN) surfaces, as shown by Raman spectroscopy. We also develop a model of reactivity based on substrate-induced electron-hole puddles in graphene, and achieve spatial patterning of chemical reactions in graphene by patterning the substrate.

Radiation hardening of metal-oxide semi-conductor (MOS) devices by boron

NASA Technical Reports Server (NTRS)

Danchenko, V.

1974-01-01

Technique using boron effectively protects metal-oxide semiconductor devices from ionizing radiation without using shielding materials. Boron is introduced into insulating gate oxide layer at semiconductor-insulator interface.

Theory-Guided Innovation of Noncarbon Two-Dimensional Nanomaterials

DTIC Science & Technology

2016-05-24

unique structures and exceptional properties, such as Be5C2 monolayers with quasi -planaer pentacoordinate carbon, FeB6 monolayers hypercoordinate...properties, such as Be5C2 monolayers with quasi -planaer pentacoordinate carbon, FeB6 monolayers hypercoordinate transition metal, semiconducting Group 15...theoretical and experimental studies, we have developed a convenient chemical approach to etch hexagonal boron nitride monolayers to achieve holes

Current trends on 2D materials for photonics devices: an NSF perspective (Conference Presentation)

NASA Astrophysics Data System (ADS)

Fallahi, Mahmoud

2017-05-01

Recent advancements in two-dimensional (2D) materials have opened significant research opportunities in optics and photonics. While the initial focus on 2D materials was on Graphene, new generation of 2D materials such as hexagonal boron nitride (h-BN), transition metal dichalcogenides (TMDCs), monolayer black phosphorous (BP) and other monolayer structures have shown unique electrical and optical properties. For example, h-BN is an insulator, while monolayers of some TMDCs such as MoS2 and WSe2 are direct band-gap semiconductors. Depending on the choice of material compositional and layer variations their optical properties can be engineered, making them particularly attractive as novel light sources, photodetectors, modulators and photovoltaic components, in particular for few photon applications. Plasmonic properties of 2D materials make them suitable for nanophotonics and monolithic integration with other conventional materials. The National Science Foundation (NSF) is a US federal agency dedicated to promote progress of science and engineering. NSF is the funding source for approximately 24 percent of all federally supported basic research conducted by America's colleges and universities. NSF has recently supported several initiatives related to novel 2D material and device research. In this talk, I will first give an overview of the NSF programs and funding opportunities. The second part of the talk will be focused on the programs related to 2D materials for photonic devices and program specific initiatives. Several highlights of the recent achievements and awards in the field of 2D materials for photonic devices will be presented.

Radiation hardening of MOS devices by boron. [for stabilizing gate threshold potential of field effect device

NASA Technical Reports Server (NTRS)

Danchenko, V. (Inventor)

1974-01-01

A technique is described for radiation hardening of MOS devices and specifically for stabilizing the gate threshold potential at room temperature of a radiation subjected MOS field-effect device with a semiconductor substrate, an insulating layer of oxide on the substrate, and a gate electrode disposed on the insulating layer. The boron is introduced within a layer of the oxide of about 100 A-300 A thickness immediately adjacent the semiconductor-insulator interface. The concentration of boron in the oxide layer is preferably maintained on the order of 10 to the 18th power atoms/cu cm. The technique serves to reduce and substantially annihilate radiation induced positive gate charge accumulations.

Impact of implanted phosphorus on the diffusivity of boron and its applicability to silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schrof, Julian; Müller, Ralph; Reedy, Robert C.

2015-07-28

Boron diffusivity reduction in extrinsically doped silicon was investigated in the context of a process combination consisting of BBr3 furnace diffusion and preceding Phosphorus ion implantation. The implantation of Phosphorus leads to a substantial blocking of Boron during the subsequent Boron diffusion. First, the influences of ion implantation induced point defects as well as the initial P doping on B diffusivity were studied independently. Here, it was found that not the defects created during ion implantation but the P doping itself results in the observed B diffusion retardation. The influence of the initial P concentration was investigated in more detailmore » by varying the P implantation dose. A secondary ion mass spectrometry (SIMS) analysis of the BSG layer after the B diffusion revealed that the B diffusion retardation is not due to potential P content in the BSG layer but rather caused by the n-type doping of the crystalline silicon itself. Based on the observations the B diffusion retardation was classified into three groups: (i) no reduction of B diffusivity, (ii) reduced B diffusivity, and (iii) blocking of the B diffusion. The retardation of B diffusion can well be explained by the phosphorus doping level resulting in a Fermi level shift and pairing of B and P ions, both reducing the B diffusivity. Besides these main influences, there are probably additional transient phenomena responsible for the blocking of boron. Those might be an interstitial transport mechanism caused by P diffusion that reduces interstitial concentration at the surface or the silicon/BSG interface shift due to oxidation during the BBr3 diffusion process. Lifetime measurements revealed that the residual (non-blocked) B leads to an increased dark saturation current density in the P doped region. Nevertheless, electrical quality is on a high level and was further increased by reducing the B dose as well as by removing the first few nanometers of the silicon surface after the BBr3 diffusion« less

Pyramidal dislocation induced strain relaxation in hexagonal structured InGaN/AlGaN/GaN multilayer

NASA Astrophysics Data System (ADS)

Yan, P. F.; Du, K.; Sui, M. L.

2012-10-01

Due to the special dislocation slip systems in hexagonal lattice, dislocation dominated deformations in hexagonal structured multilayers are significantly different from that in cubic structured systems. In this work, we have studied the strain relaxation mechanism in hexagonal structured InGaN/AlGaN/GaN multilayers with transmission electron microscopy. Due to lattice mismatch, the strain relaxation was found initiated with the formation of pyramidal dislocations. Such dislocations locally lie at only one preferential slip direction in the hexagonal lattice. This preferential slip causes a shear stress along the basal planes and consequently leads to dissociation of pyramidal dislocations and operation of the basal plane slip system. The compressive InGaN layers and "weak" AlGaN/InGaN interfaces stimulate the dissociation of pyramidal dislocations at the interfaces. These results enhance the understanding of interactions between dislocations and layer interfaces and shed new lights on deformation mechanism in hexagonal-lattice multilayers.

Electrical and Thermal Transport in Coplanar Polycrystalline Graphene-hBN Heterostructures.

PubMed

Barrios-Vargas, José Eduardo; Mortazavi, Bohayra; Cummings, Aron W; Martinez-Gordillo, Rafael; Pruneda, Miguel; Colombo, Luciano; Rabczuk, Timon; Roche, Stephan

2017-03-08

We present a theoretical study of electronic and thermal transport in polycrystalline heterostructures combining graphene (G) and hexagonal boron nitride (hBN) grains of varying size and distribution. By increasing the hBN grain density from a few percent to 100%, the system evolves from a good conductor to an insulator, with the mobility dropping by orders of magnitude and the sheet resistance reaching the MΩ regime. The Seebeck coefficient is suppressed above 40% mixing, while the thermal conductivity of polycrystalline hBN is found to be on the order of 30-120 Wm -1 K -1 . These results, agreeing with available experimental data, provide guidelines for tuning G-hBN properties in the context of two-dimensional materials engineering. In particular, while we proved that both electrical and thermal properties are largely affected by morphological features (e.g., by the grain size and composition), we find in all cases that nanometer-sized polycrystalline G-hBN heterostructures are not good thermoelectric materials.

Boron carbide nanowires: Synthesis and characterization

NASA Astrophysics Data System (ADS)

Guan, Zhe

Bulk boron carbide has been widely used in ballistic armored vest and the property characterization has been heavily focused on mechanical properties. Even though boron carbides have also been projected as a promising class of high temperature thermoelectric materials for energy harvesting, the research has been limited in this field. Since the thermal conductivity of bulk boron carbide is still relatively high, there is a great opportunity to take advantage of the nano effect to further reduce it for better thermoelectric performance. This dissertation work aims to explore whether improved thermoelectric performance can be found in boron carbide nanowires compared with their bulk counterparts. This dissertation work consists of four main parts. (1) Synthesis of boron carbide nanowires. Boron carbide nanowires were synthesized by co-pyrolysis of diborane and methane at low temperatures (with 879 °C as the lowest) in a home-built low pressure chemical vapor deposition (LPCVD) system. The CVD-based method is energy efficient and cost effective. The as-synthesized nanowires were characterized by electron microscopy extensively. The transmission electron microscopy (TEM) results show the nanowires are single crystalline with planar defects. Depending on the geometrical relationship between the preferred growth direction of the nanowire and the orientation of the defects, the as-synthesized nanowires could be further divided into two categories: transverse fault (TF) nanowires grow normal to the defect plane, while axial fault (AF) ones grow within the defect plane. (2) Understanding the growth mechanism of as-synthesized boron carbide nanowires. The growth mechanism can be generally considered as the famous vapor-liquid-solid (VLS) mechanism. TF and AF nanowires were found to be guided by Ni-B catalysts of two phases. A TF nanowire is lead by a hexagonal phase catalyst, which was proved to be in a liquid state during reaction. While an AF nanowires is catalyzed by a solid orthorhombic phase catalyst. The status of a catalyst depends mainly on temperature. (3) Observation of "invisible" defects in boron carbide nanowires. The planar defects can only be seen under a transmission electron microscope when the electron beam is within the defect plane. Furthermore, there are only two directions within that plane, along which the orientation of defect can be told and clear TEM results can be taken. The challenge is that the TEM sample holder is limited to tilt +/-30° in each direction. A theory was developed based on lattice calculation and simulation to tell the orientation of defect even not from those unique directions. Furthermore, it was tested by experimental data and proved to be successful. (4) Preliminary exploration of structure-transport property of as-synthesized boron carbide nanowires. In collaboration with experts in the field of thermal science, thermal transport properties of a few boron carbide nanowires were studied. All measured nanowires were either pre-characterized or post-characterized by TEM to reveal their structural information such as diameter, fault orientations and chemical composition. The obtained structural information was then analyzed together with measured thermal conductivity to establish a structure-transport property relation. Current data indicate that TF ones have a lower thermal conductivity, which is also diameter-dependent.

Boron carbide coating deposition on tungsten and testing of tungsten layers and coating under intense plasma load

DOE Office of Scientific and Technical Information (OSTI.GOV)

Airapetov, A. A.; Begrambekov, L. B., E-mail: lbb@plasma.mephi.ru; Buzhinskiy, O. I.

2015-12-15

A device intended for boron carbide coating deposition and material testing under high heat loads is presented. A boron carbide coating 5 μm thick was deposited on the tungsten substrate. These samples were subjected to thermocycling loads in the temperature range of 400–1500°C. Tungsten layers deposited on tungsten substrates were tested in similar conditions. Results of the surface analysis are presented.

Predicting the structural and electronic properties of two-dimensional single layer boron nitride sheets

NASA Astrophysics Data System (ADS)

Li, Xiao-Dong; Cheng, Xin-Lu

2018-02-01

Three two-dimensional (2D) single layer boron nitride sheets have been predicted based on the first-principles calculations. These 2D boron nitride sheets are comprised of equivalent boron atoms and nitride atoms with sp2 and sp bond hybridization. The geometry optimization reflects that they all possess stable planar crystal structures with the space group P 6 bar 2 m (D3h3) symmetry. The charge density distribution manifests that the B-N bonds in these boron nitride sheets are covalent in nature but with ionic characteristics. The tunable band gaps indicate their potential applications in nanoscale electronic and optoelectronic devices by changing the length of sp-bonded Bsbnd N linkages.

Shubnikov-de Haas oscillations of high mobility holes in monolayer and bilayer WSe2: spin-valley locking, effective mass, and inter-layer coupling

NASA Astrophysics Data System (ADS)

Fallahazad, Babak; Movva, Hema Chandra Prakash; Kim, Kyounghwan; Larentis, Stefano; Taniguchi, Takashi; Watanabe, Kenji; Banerjee, Sanjay K.; Tutuc, Emanuel

We study the magnetotransport properties of high mobility holes in monolayer and bilayer WSe2, measured in dual-gated samples with top and bottom hexagonal boron-nitride dielectrics, and using platinum bottom contacts. Thanks to the Pt high work-function combined with the a high hole density induced electrostatically by an applied top gate bias, the contacts remain ohmic down to low (1.5 K) temperatures. The samples display well defined Shubnikov-de Haas (SdH) oscillations, and quantum Hall states (QHS) in high magnetic fields. In both mono and bilayer WSe2, the SdH oscillations and the QHSs occur predominantly at even filling factors, evincing a two-fold Landau level degeneracy consistent with spin-valley locking. The Fourier transform analysis of the SdH oscillations in dual-gated bilayer WSe2 reveal the presence of two subbands, each localized in the top or the bottom layer, as well as negative compressibility. From the temperature dependence of the SdH oscillation amplitude we determine a hole effective mass of 0.45me for both mono and bilayer WSe2. The top and bottom layer densities can be independently tuned using the top and bottom gates, respectively, evincing a weak interlayer coupling. This work has been supported by NRI-SWAN and Intel corporation.

Archaeal S-Layers: Overview and Current State of the Art.

PubMed

Rodrigues-Oliveira, Thiago; Belmok, Aline; Vasconcellos, Deborah; Schuster, Bernhard; Kyaw, Cynthia M

2017-01-01

In contrast to bacteria, all archaea possess cell walls lacking peptidoglycan and a number of different cell envelope components have also been described. A paracrystalline protein surface layer, commonly referred to as S-layer, is present in nearly all archaea described to date. S-layers are composed of only one or two proteins and form different lattice structures. In this review, we summarize current understanding of archaeal S-layer proteins, discussing topics such as structure, lattice type distribution among archaeal phyla and glycosylation. The hexagonal lattice type is dominant within the phylum Euryarchaeota, while in the Crenarchaeota this feature is mainly associated with specific orders. S-layers exclusive to the Crenarchaeota have also been described, which are composed of two proteins. Information regarding S-layers in the remaining archaeal phyla is limited, mainly due to organism description through only culture-independent methods. Despite the numerous applied studies using bacterial S-layers, few reports have employed archaea as a study model. As such, archaeal S-layers represent an area for exploration in both basic and applied research.

Archaeal S-Layers: Overview and Current State of the Art

PubMed Central

Rodrigues-Oliveira, Thiago; Belmok, Aline; Vasconcellos, Deborah; Schuster, Bernhard; Kyaw, Cynthia M.

2017-01-01

In contrast to bacteria, all archaea possess cell walls lacking peptidoglycan and a number of different cell envelope components have also been described. A paracrystalline protein surface layer, commonly referred to as S-layer, is present in nearly all archaea described to date. S-layers are composed of only one or two proteins and form different lattice structures. In this review, we summarize current understanding of archaeal S-layer proteins, discussing topics such as structure, lattice type distribution among archaeal phyla and glycosylation. The hexagonal lattice type is dominant within the phylum Euryarchaeota, while in the Crenarchaeota this feature is mainly associated with specific orders. S-layers exclusive to the Crenarchaeota have also been described, which are composed of two proteins. Information regarding S-layers in the remaining archaeal phyla is limited, mainly due to organism description through only culture-independent methods. Despite the numerous applied studies using bacterial S-layers, few reports have employed archaea as a study model. As such, archaeal S-layers represent an area for exploration in both basic and applied research. PMID:29312266

Theory of proximity-induced exchange coupling in graphene on hBN/(Co, Ni)

NASA Astrophysics Data System (ADS)

Zollner, Klaus; Gmitra, Martin; Frank, Tobias; Fabian, Jaroslav

2016-10-01

Graphene, being essentially a surface, can borrow some properties of an insulating substrate (such as exchange or spin-orbit couplings) while still preserving a great degree of autonomy of its electronic structure. Such derived properties are commonly labeled as proximity. Here we perform systematic first-principles calculations of the proximity exchange coupling, induced by cobalt (Co) and nickel (Ni) in graphene, via a few (up to three) layers of hexagonal boron nitride (hBN). We find that the induced spin splitting of the graphene bands is of the order of 10 meV for a monolayer of hBN, decreasing in magnitude but alternating in sign by adding each new insulating layer. We find that the proximity exchange can be giant if there is a resonant d level of the transition metal close to the Dirac point. Our calculations suggest that this effect could be present in Co heterostructures, in which a d level strongly hybridizes with the valence-band orbitals of graphene. Since this hybridization is spin dependent, the proximity spin splitting is unusually large, about 10 meV even for two layers of hBN. An external electric field can change the offset of the graphene and transition-metal orbitals and can lead to a reversal of the sign of the exchange parameter. This we predict to happen for the case of two monolayers of hBN, enabling electrical control of proximity spin polarization (but also spin injection) in graphene/hBN/Co structures. Nickel-based heterostructures show weaker proximity effects than cobalt heterostructures. We introduce two phenomenological models to describe the first-principles data. The minimal model comprises the graphene (effective) pz orbitals and can be used to study transport in graphene with proximity exchange, while the pz-d model also includes hybridization with d orbitals, which is important to capture the giant proximity exchange. Crucial to both models is the pseudospin-dependent exchange coupling, needed to describe the different spin splittings of the valence and conduction bands.

Fabrication of AlN/BN bishell hollow nanofibers by electrospinning and atomic layer deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haider, Ali; Kayaci, Fatma; Uyar, Tamer

2014-09-01

Aluminum nitride (AlN)/boron nitride (BN) bishell hollow nanofibers (HNFs) have been fabricated by successive atomic layer deposition (ALD) of AlN and sequential chemical vapor deposition (CVD) of BN on electrospun polymeric nanofibrous template. A four-step fabrication process was utilized: (i) fabrication of polymeric (nylon 6,6) nanofibers via electrospinning, (ii) hollow cathode plasma-assisted ALD of AlN at 100 °C onto electrospun polymeric nanofibers, (iii) calcination at 500 °C for 2 h in order to remove the polymeric template, and (iv) sequential CVD growth of BN at 450 °C. AlN/BN HNFs have been characterized for their chemical composition, surface morphology, crystal structure, and internal nanostructuremore » using X-ray photoelectron spectroscopy, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, and selected area electron diffraction. Measurements confirmed the presence of crystalline hexagonal BN and AlN within the three dimensional (3D) network of bishell HNFs with relatively low impurity content. In contrast to the smooth surface of the inner AlN layer, outer BN coating showed a highly rough 3D morphology in the form of BN nano-needle crystallites. It is shown that the combination of electrospinning and plasma-assisted low-temperature ALD/CVD can produce highly controlled multi-layered bishell nitride ceramic hollow nanostructures. While electrospinning enables easy fabrication of nanofibrous template, self-limiting reactions of plasma-assisted ALD and sequential CVD provide control over the wall thicknesses of AlN and BN layers with sub-nanometer accuracy.« less

Chemical treatment of wastewater from flue gas desulphurisation

NASA Astrophysics Data System (ADS)

Pasiecznik, Iwona; Szczepaniak, Włodzimierz

2017-11-01

The article presents results of laboratory tests of removing boron and arsenium from non-ideal solutions using double-layered magnesium/aluminium hydroxides (Mg/Al Double-Layered Hydroxide - DLH) produced with nitrate-chloride method. In research, wastewater from an installation for flue gas desulfurization was examined. Double-layered hydroxides are perfect absorbents for anionic compounds. The research proved high effectiveness of preparation with reference to arsenium, as well as confirmed the effect of presence of sulfatic and arsenate ions on the effectiveness of boron removal. On the basis of research on absorption kinetics a theoretical dose of DLH/NO3-Cl/M preparation was calculated and compared with a dose that ensures emimination of boron below the limit standarized by the national regulations. Application of double-layered magnesium/aluminium hydroxides for boron elimination from industrial wastewater requires significantly higher doses of preparation than those calculated in model investigations. It is due to the priority of removal of multivalent ions, such as sulfatic, arsenate or phosphate ions, by DLH/NO3-Cl/M.

Hole polarons and p -type doping in boron nitride polymorphs

NASA Astrophysics Data System (ADS)

Weston, L.; Wickramaratne, D.; Van de Walle, C. G.

2017-09-01

Boron nitride polymorphs hold great promise for integration into electronic and optoelectronic devices requiring ultrawide band gaps. We use first-principles calculations to examine the prospects for p -type doping of hexagonal (h -BN ), wurtzite (w z -BN ), and cubic (c -BN ) boron nitride. Group-IV elements (C, Si) substituting on the N site result in a deep acceptor, as the atomic levels of the impurity species lie above the BN valence-band maximum. On the other hand, group-II elements (Be, Mg) substituting on the B site do not give impurity states in the band gap; however, these dopants lead to the formation of small hole polarons. The tendency for polaron formation is far more pronounced in h -BN compared to w z -BN or c -BN . Despite forming small hole polarons, Be acceptors enable p -type doping, with ionization energies of 0.31 eV for w z -BN and 0.24 eV for c -BN ; these values are comparable to the Mg ionization energy in GaN.

Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible

PubMed Central

Attaccalite, Claudio; Wirtz, Ludger; Marini, Andrea; Rubio, Angel

2013-01-01

Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow and isolate graphene as well as for its intrinsic UV lasing response. Similar to carbon, one-dimensional boron nitride nanotubes (BNNTs) have been theoretically predicted and later synthesised. Here we use first principles simulations to unambiguously demonstrate that i) BN nanotubes inherit the highly efficient UV luminescence of hexagonal BN; ii) the application of an external perpendicular field closes the electronic gap keeping the UV lasing with lower yield; iii) defects in BNNTS are responsible for tunable light emission from the UV to the visible controlled by a transverse electric field (TEF). Our present findings pave the road towards optoelectronic applications of BN-nanotube-based devices that are simple to implement because they do not require any special doping or complex growth. PMID:24060843

Defect states of complexes involving a vacancy on the boron site in boronitrene

NASA Astrophysics Data System (ADS)

Ngwenya, T. B.; Ukpong, A. M.; Chetty, N.

2011-12-01

First principles calculations have been performed to investigate the ground state properties of freestanding monolayer hexagonal boronitrene (h-BN). We have considered monolayers that contain native point defects and their complexes, which form when the point defects bind with the boron vacancy on the nearest-neighbor position. The changes in the electronic structure are analyzed to show the extent of localization of the defect-induced midgap states. The variations in formation energies suggest that defective h-BN monolayers that contain carbon substitutional impurities are the most stable structures, irrespective of the changes in growth conditions. The high energies of formation of the boron vacancy complexes suggest that they are less stable, and their creation by ion bombardment would require high-energy ions compared to point defects. Using the relative positions of the derived midgap levels for the double vacancy complex, it is shown that the quasi-donor-acceptor pair interpretation of optical transitions is consistent with stimulated transitions between electron and hole states in boronitrene.

High resolution track etch autoradiography

DOEpatents

Solares, G.; Zamenhof, R.G.

1994-12-27

A detector assembly is disclosed for use in obtaining alpha-track autoradiographs, the detector assembly including a substantially boron-free substrate; a detector layer deposited on the substantially boron-free substrate, the detector layer being capable of recording alpha particle tracks and exhibiting evidence of the alpha tracks in response to being exposed to an etchant, the detector layer being less than about 2 microns thick; and a protective layer deposited on the detector layer, the protective layer being resistant to the etchant and having a thickness of about 0.5 to 1 microns. 13 figures.

High resolution track etch autoradiography

DOEpatents

Solares, Guido; Zamenhof, Robert G.

1994-01-01

A detector assembly for use in obtaining alpha-track autoradiographs, the detector assembly including a substantially boron-free substrate; a detector layer deposited on the substantially boron-free substrate, the detector layer being capable of recording alpha particle tracks and exhibiting evidence of the alpha tracks in response to being exposed to an etchant, the detector layer being less than about 2 microns thick; and a protective layer deposited on the detector layer, the protective layer being resistant to the etchant and having a thickness of about 0.5 to 1 microns.

Structure, Mechanics and Synthesis of Nanoscale Carbon and Boron Nitride

NASA Astrophysics Data System (ADS)

Rinaldo, Steven G.

This thesis is divided into two parts. In Part I, we examine the properties of thin sheets of carbon and boron nitride. We begin with an introduction to the theory of elastic sheets, where the stretching and bending modes are considered in detail. The coupling between stretching and bending modes is thought to play a crucial role in the thermodynamic stability of atomically-thin 2D sheets such as graphene. In Chapter 2, we begin by looking at the fabrication of suspended, atomically thin sheets of graphene. We then study their mechanical resonances which are read via an optical transduction technique. The frequency of the resonators was found to depend on their temperature, as was their quality factor. We conclude by offering some interpretations of the data in terms of the stretching and bending modes of graphene. In Chapter 3, we look briefly at the fabrication of thin sheets of carbon and boron nitride nanotubes. We examine the structure of the sheets using transmission and scanning electron microscopy (TEM and SEM, respectively). We then show a technique by which one can make sheets suspended over a trench with adjustable supports. Finally, DC measurements of the resistivity of the sheets in the temperature range 600 -- 1400 C are presented. In Chapter 4, we study the folding of few-layer graphene oxide, graphene and boron nitride into 3D aerogel monoliths. The properties of graphene oxide are first considered, after which the structure of graphene and boron nitride aerogels is examined using TEM and SEM. Some models for their structure are proposed. In Part II, we look at synthesis techniques for boron nitride (BN). In Chapter 5, we study the conversion of carbon structures of boron nitride via the application of carbothermal reduction of boron oxide followed by nitridation. We apply the conversion to a wide variety of morphologies, including aerogels, carbon fibers and nanotubes, and highly oriented pyrolytic graphite. In the latter chapters, we look at the formation of boron nitride nanotubes (BNNTs). In Chapter 6, we look at various methods of producing BNNTs from boron droplets, and introduce a new method involving injection of boron powder into an induction furnace. In Chapter 7 we consider another useful process, where ammonia is reacted with boron vapor generated in situ, either through the reaction of boron with metal oxides or through the decomposition of metal borides.

Magnesium-based methods, systems, and devices

DOEpatents

Zhao, Yufeng; Ban, Chunmei; Ruddy, Daniel; Parilla, Philip A.; Son, Seoung-Bum

2017-12-12

An aspect of the present invention is an electrical device, where the device includes a current collector and a porous active layer electrically connected to the current collector to form an electrode. The porous active layer includes MgB.sub.x particles, where x.gtoreq.1, mixed with a conductive additive and a binder additive to form empty interstitial spaces between the MgB.sub.x particles, the conductive additive, and the binder additive. The MgB.sub.x particles include a plurality of boron sheets of boron atoms covalently bound together, with a plurality of magnesium atoms reversibly intercalated between the boron sheets and ionically bound to the boron atoms.

Noise in Graphene Superlattices Grown on Hexagonal Boron Nitride.

PubMed

Li, Xuefei; Lu, Xiaobo; Li, Tiaoyang; Yang, Wei; Fang, Jianming; Zhang, Guangyu; Wu, Yanqing

2015-11-24

Existing in almost all electronic systems, the current noise spectral density, originated from the fluctuation of current, is by nature far more sensitive than the mean value of current, the most common characteristic parameter in electronic devices. Existing models on its origin of either carrier number or mobility are adopted in practically all electronic devices. For the past few decades, there has been no experimental evidence for direct association between 1/f noise and any other kinetic phenomena in solid state devices. Here, in the study of a van der Waals heterostructure of graphene on hexagonal BN superlattice, satellite Dirac points have been characterized through 1/f noise spectral density with pronounced local minima and asymmetric magnitude associated with its unique energy dispersion spectrum, which can only be revealed by scanning tunneling microscopy and low temperature magneto-transport measurement. More importantly, these features even emerge in the noise spectra of devices showing no minima in electric current, and are robust at all temperatures down to 4.3 K. In addition, graphene on h-BN exhibits a record low noise level of 1.6 × 10(-9) μm(2) Hz(-1) at 10 Hz, more than 1 order of magnitude lower than previous results for graphene on SiO2. Such an epitaxial van der Waals material system not only enables an unprecedented characterization of fundamentals in solids by 1/f noise, but its superior interface also provides a key and feasible solution for further improvement of the noise level for graphene devices.

Effect of ripples on the finite temperature elastic properties of hexagonal boron nitride using strain-fluctuation method

NASA Astrophysics Data System (ADS)

Thomas, Siby; Ajith, K. M.; Valsakumar, M. C.

2017-11-01

This work intents to put forth the results of a classical molecular dynamics study to investigate the temperature dependent elastic constants of monolayer hexagonal boron nitride (h-BN) between 100 and 1000 K for the first time using strain fluctuation method. The temperature dependence of out-of-plane fluctuations (ripples) is quantified and is explained using continuum theory of membranes. At low temperatures, negative in-plane thermal expansion is observed and at high temperatures, a transition to positive thermal expansion has been observed due to the presence of thermally excited ripples. The decrease of Young's modulus, bulk modulus, shear modulus and Poisson's ratio with increase in temperature has been analyzed. The thermal rippling in h-BN leads to strong anharmonic behaviour that causes large deviation from the isotropic elasticity. A detailed study shows that the strong thermal rippling in large systems is also responsible for the softening of elastic constants in h-BN. From the determined values of elastic constants and elastic moduli, it has been elucidated that 2D h-BN sheets meet the Born's mechanical stability criterion in the investigated temperature range. The variation of longitudinal and shear velocities with temperature is also calculated from the computed values of elastic constants and elastic moduli.

Electrophoretic deposition of hydroxyapatite-hexagonal boron nitride composite coatings on Ti substrate.

PubMed

Göncü, Yapıncak; Geçgin, Merve; Bakan, Feray; Ay, Nuran

2017-10-01

In this study, commercial pure titanium samples were coated with nano hydroxyapatite-nano hexagonal boron nitride (nano HA-nano hBN) composite by electrophoretic deposition (EPD). The effect of process parameters (applied voltage, deposition time and solid concentration) on the coating morphology, thickness and the adhesion behavior were studied systematically and crack free nano hBN-nano HA composite coating production was achieved for developing bioactive coatings on titanium substrates for orthopedic applications. For the examination of structural and morphological characteristics of the coating surfaces, various complementary analysis methods were performed. For the structural characterization, XRD and Raman Spectroscopy were used while, Scanning Electron Microscopy (SEM) equipped with an energy dispersive spectrometer (EDS) and Transmission Electron Microscopy (TEM) techniques were carried out for revealing the morphological characterization. The results showed that nano HA-nano hBN were successfully deposited on Ti surface with uniform, crack-free coating by EPD. The amounts of hBN in suspension are considered to have no effect on coating thickness. By adding hBN into HA, the morphology of HA did not change and hBN has no significant effect on porous structure. These nanostructured surfaces are expected to be suitable for proliferation of cells and have high potential for bioactive materials. Copyright © 2017 Elsevier B.V. All rights reserved.

Charge transport and electron-hole asymmetry in low-mobility graphene/hexagonal boron nitride heterostructures

NASA Astrophysics Data System (ADS)

Li, Jiayu; Lin, Li; Huang, Guang-Yao; Kang, N.; Zhang, Jincan; Peng, Hailin; Liu, Zhongfan; Xu, H. Q.

2018-02-01

Graphene/hexagonal boron nitride (G/h-BN) heterostructures offer an excellent platform for developing nanoelectronic devices and for exploring correlated states in graphene under modulation by a periodic superlattice potential. Here, we report on transport measurements of nearly 0 ° -twisted G/h-BN heterostructures. The heterostructures investigated are prepared by dry transfer and thermally annealing processes and are in the low mobility regime (approximately 3000 cm2 V-1 s-1 at 1.9 K). The replica Dirac spectra and Hofstadter butterfly spectra are observed on the hole transport side, but not on the electron transport side, of the heterostructures. We associate the observed electron-hole asymmetry with the presence of a large difference between the opened gaps in the conduction and valence bands and a strong enhancement in the interband contribution to the conductivity on the electron transport side in the low-mobility G/h-BN heterostructures. We also show that the gaps opened at the central Dirac point and the hole-branch secondary Dirac point are large, suggesting the presence of strong graphene-substrate interaction and electron-electron interaction in our G/h-BN heterostructures. Our results provide additional helpful insight into the transport mechanism in G/h-BN heterostructures.

Hexagonal boron nitride nanoparticles decorated halloysite clay nanotubes as a potential hydrogen storage medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muthu, R. Naresh, E-mail: rnaresh7708@gmail.com; Rajashabala, S.; Kannan, R.

2016-05-23

The light weight and compact hydrogen storage materials is still prerequisite for the carbon free hydrogen fuel cell technology. In this work, the hydrogen storage performance of acid treated halloysite clay nanotubes (A-HNTs) and hexagonal boron nitride (h-BN) nanoparticles decorated acid treated halloysite nanoclay composite (A-HNT-h-BN) are demonstrated, where facile ultrasonic technique is adopted for the synthesis of A-HNT-h-BN nanoclay composite. Hydrogen storage studies were carried out using Sieverts-like hydrogenation setup. The A-HNTs and A-HNT-h-BN nanoclay composite were analyzed by XRD, FTIR, HRTEM, EDX, CHNS-elemental analysis and TGA. The A-HNT-h-BN nanoclay composite shows superior storage capacity of 2.19 wt% atmore » 50 °C compared to the A-HNTs (0.58 wt%). A 100% desorption of stored hydrogen is noted in the temperature range of 138–175 °C. The average binding energy of hydrogen was found to be 0.34 eV for the prepared A-HNT-h-BN nanoclay composite. The excellent storage capability of A-HNT-h-BN nanoclay composite towards hydrogen at ambient temperature may find bright perspective in hydrogen fuel cell technology in near future.« less

Origin and roles of oxygen impurities in hexagonal boron nitride epilayers

NASA Astrophysics Data System (ADS)

Grenadier, S. J.; Maity, A.; Li, J.; Lin, J. Y.; Jiang, H. X.

2018-04-01

Photoluminescence emission spectroscopy and electrical transport measurements have been employed to study the origin and roles of oxygen impurities in hexagonal boron nitride (h-BN) epilayers grown on sapphire substrates. The temperature dependence of the electrical resistivity revealed the presence of a previously unnoticed impurity level of about 0.6 eV in h-BN epilayers grown at high temperatures. The results suggested that in addition to the common nitrogen vacancy (VN) shallow donors in h-BN, oxygen impurities diffused from sapphire substrates during high temperature growth also act as substitutional donors (ON). The presence of ON gives rise to an additional emission peak in the photoluminescence spectrum, corresponding to a donor-acceptor pair recombination involving the ON donor and the CN (carbon occupying nitrogen site) deep level acceptor. Moreover, due to the presence of ON donors, the majority charge carrier type changed to electrons in epilayers grown at high temperatures, in contrast to typical h-BN epilayers which naturally exhibit "p-type" character. The results provided a more coherent picture for common impurities/defects in h-BN as well as a better understanding of the growth mediated impurities in h-BN epilayers, which will be helpful for finding possible ways to further improve the quality and purity of this emerging material.

Effects of hexagonal boron nitride on dry compression mixture of Avicel DG and Starch 1500.

PubMed

Uğurlu, Timuçin; Halaçoğlu, Mekin Doğa

2016-01-01

The objective of this study was to investigate the lubrication properties of hexagonal boron nitride (HBN) on a (1:1) binary mixture of Avicel DG and Starch 1500 after using the dry granulation-slugging method and compare it with conventional lubricants, such as magnesium stearate (MGST), glyceryl behenate (COMP) and stearic acid (STAC). MGST is one of the most commonly used lubricants in the pharmaceutical industry. However, it has several adverse effects on tablet properties. In our current study, we employed various methods to eradicate the work hardening phenomenon in dry granulation, and used HBN as a new lubricant to overcome the adverse effects of other lubricants on tablet properties. HBN was found to be as effective as MGST and did not show any significant adverse effects on the crushing strength or work hardening. From the scanning electron microscope (SEM) images, it was concluded that HBN distributed better than MGST. As well as showing better distribution, HBN's effect on disintegration was the least pronounced. Semi-quantitative weight percent distribution of B and N elements in the tablets was obtained using EDS (energy dispersive spectroscopy). Based on atomic force microscope (AFM) surface roughness images, formulations prepared with 1% HBN showed better plastic character than those prepared with MGST.

Compression parameters of hexagonal boron nitride on direct compression mixture of microcrystalline cellulose and modified starch.

PubMed

Halaçoğlu, Mekin Doğa; Uğurlu, Timuçin

2015-01-01

The objective of this study was to investigate the effects of conventional lubricants including a new candidate lubricant "hexagonal boron nitride (HBN)" on direct compression powders. Lubricants such as magnesium stearate (MGST), glyceryl behenate, stearic acid, talc and polyethylene glycol6000 were studied and tablets were manufactured on a single station instrumented tablet press. This study comprised the continuation of our previous one, so mixture of microcrystalline cellulose and modified starch was used as a master formula to evaluate effects of lubricants on pharmaceutical excipients that undergo complete plastic deformation without any fragmentation under compression pressure. Bulk and tapped densities, and Carr's index parameters were calculated for powders. Tensile strength, cohesion index, lower punch ejection force and lubricant effectiveness values were investigated for tablets. The deformation mechanisms of tablets were studied during compression from the Heckel plots with or without lubricant. MGST was found to be the most effective lubricant and HBN was found very close to it. HBN did not show a significant negative effect on the crushing strength and disintegration time of the tablets when we compared with MGST. Based on the Heckel plots at the level of 1%, formulation prepared with HBN showed the most pronounced plastic character.

Realization of highly efficient hexagonal boron nitride neutron detectors

DOE PAGES

Maity, A.; Doan, T. C.; Li, J.; ...

2016-08-16

Here, we report the achievement of highly efficient 10B enriched hexagonal boron nitride (h- 10BN) direct conversion neutron detectors. These detectors were realized from freestanding 4-in. diameter h- 10BN wafers 43 μm in thickness obtained from epitaxy growth and subsequent mechanical separation from sapphire substrates. Both sides of the film were subjected to ohmic contact deposition to form a simple vertical “photoconductor-type” detector. Transport measurements revealed excellent vertical transport properties including high electrical resistivity (>10 13 Ω cm) and mobility-lifetime (μτ) products. A much larger μτ product for holes compared to that of electrons along the c-axis of h- BNmore » was observed, implying that holes (electrons) behave like majority (minority) carriers in undoped h- BN. Exposure to thermal neutrons from a californium-252 ( 252Cf) source moderated by a high density polyethylene moderator reveals that 43 μm h- 10BN detectors possess 51.4% detection efficiency at a bias voltage of 400 V, which is the highest reported efficiency for any semiconductor-based neutron detector. The results point to the possibility of obtaining highly efficient, compact solid-state neutron detectors with high gamma rejection and low manufacturing and maintenance costs.« less

Gaps induced by inversion symmetry breaking and second-generation Dirac cones in graphene/hexagonal boron nitride

DOE PAGES

Wang, Eryin; Lu, Xiaobo; Ding, Shijie; ...

2016-08-22

Graphene/hexagonal boron nitride (h-BN) has emerged as a model van der Waals heterostructure as the superlattice potential, which is induced by lattice mismatch and crystal orientation, gives rise to various novel quantum phenomena, such as the self-similar Hofstadter butterfly states. Although the newly generated second-generation Dirac cones (SDCs) are believed to be crucial for understanding such intriguing phenomena, fundamental knowledge of SDCs, such as locations and dispersion, and the effect of inversion symmetry breaking on the gap opening, still remains highly debated due to the lack of direct experimental results. In this work we report direct experimental results on themore » dispersion of SDCs in 0°-aligned graphene/h-BN heterostructures using angle-resolved photoemission spectroscopy. Our data unambiguously reveal SDCs at the corners of the superlattice Brillouin zone, and at only one of the two superlattice valleys. Moreover, gaps of approximately 100 meV and approximately 160 meV are observed at the SDCs and the original graphene Dirac cone, respectively. Our work highlights the important role of a strong inversion-symmetry-breaking perturbation potential in the physics of graphene/h-BN, and fills critical knowledge gaps in the band structure engineering of Dirac fermions by a superlattice potential.« less

Lithium doping and vacancy effects on the structural, electronic and magnetic properties of hexagonal boron nitride sheet: A first-principles calculation

NASA Astrophysics Data System (ADS)

Fartab, Dorsa S.; Kordbacheh, Amirhossein Ahmadkhan

2018-06-01

The first-principles calculations based on spin-polarized density functional theory is carried out to investigate the structural, electronic and magnetic properties of a hexagonal boron nitride sheet (h-BNS) doped by one or two lithium atom(s). Moreover, a vacancy in the neighborhood of one Li-substituted atom is introduced into the system. All optimized structures indicate significant local deformations with Li atom(s) protruded to the exterior of the sheet. The defects considered at N site are energetically more favorable than their counterpart structures at B site. The spin-polarized impurity states appear within the bandgap region of the pristine h-BNS, which lead to a spontaneous magnetization with the largest magnetic moments of about 2 μB in where a single or two B atom(s) are replaced by Li atom(s). Furthermore, the Li substitution for a single B atom increases the density of holes compared to that of electrons forming a p-type semiconductor. More interestingly, the structure in which two Li are substituted two neighboring B atoms appears to show desired half-metallic behavior that may be applicable in spintronic. The results provide a way to enhance the conductivity and magnetism of the pristine h-BNS for potential applications in BN-based nanoscale devices.

Model for multi-filamentary conduction in graphene/hexagonal-boron-nitride/graphene based resistive switching devices

NASA Astrophysics Data System (ADS)

Pan, Chengbin; Miranda, Enrique; Villena, Marco A.; Xiao, Na; Jing, Xu; Xie, Xiaoming; Wu, Tianru; Hui, Fei; Shi, Yuanyuan; Lanza, Mario

2017-06-01

Despite the enormous interest raised by graphene and related materials, recent global concern about their real usefulness in industry has raised, as there is a preoccupying lack of 2D materials based electronic devices in the market. Moreover, analytical tools capable of describing and predicting the behavior of the devices (which are necessary before facing mass production) are very scarce. In this work we synthesize a resistive random access memory (RRAM) using graphene/hexagonal-boron-nitride/graphene (G/h-BN/G) van der Waals structures, and we develop a compact model that accurately describes its functioning. The devices were fabricated using scalable methods (i.e. CVD for material growth and shadow mask for electrode patterning), and they show reproducible resistive switching (RS). The measured characteristics during the forming, set and reset processes were fitted using the model developed. The model is based on the nonlinear Landauer approach for mesoscopic conductors, in this case atomic-sized filaments formed within the 2D materials system. Besides providing excellent overall fitting results (which have been corroborated in log-log, log-linear and linear-linear plots), the model is able to explain the dispersion of the data obtained from cycle-to-cycle in terms of the particular features of the filamentary paths, mainly their confinement potential barrier height.

Exfoliation of Hexagonal Boron Nitride via Ferric Chloride Intercalation

NASA Technical Reports Server (NTRS)

Hung, Ching-cheh; Hurst, Janet; Santiago, Diana; Rogers, Richard B.

2014-01-01

Sodium fluoride (NaF) was used as an activation agent to successfully intercalate ferric chloride (FeCl3) into hexagonal boron nitride (hBN). This reaction caused the hBN mass to increase by approx.100 percent, the lattice parameter c to decrease from 6.6585 to between 6.6565 and 6.6569 ?, the x-ray diffraction (XRD) (002) peak to widen from 0.01deg to 0.05deg of the full width half maximum value, the Fourier transform infrared (FTIR) spectrum's broad band (1277/cm peak) to change shape, and new FTIR bands to emerge at 3700 to 2700 and 1600/cm. This indicates hBN's structural and chemical properties are significantly changed. The intercalated product was hygroscopic and interacted with moisture in the air to cause further structural and chemical changes (from XRD and FTIR). During a 24-h hold at room temperature in air with 100 percent relative humidity, the mass increased another 141 percent. The intercalated product, hydrated or not, can be heated to 750 C in air to cause exfoliation. Exfoliation becomes significant after two intercalation-air heating cycles, when 20-nm nanosheets are commonly found. Structural and chemical changes indicated by XRD and FTIR data were nearly reversed after the product was placed in hydrochloric acid (HCl), resulting in purified, exfoliated, thin hBN products.

Study of the boron levels in serum after implantation of different ratios nano-hexagonal boron nitride-hydroxy apatite in rat femurs.

PubMed

Atila, Alptug; Halici, Zekai; Cadirci, Elif; Karakus, Emre; Palabiyik, Saziye Sezin; Ay, Nuran; Bakan, Feray; Yilmaz, Sahin

2016-01-01

Boron and its derivatives are effective in bone recovery and osteointegration. However, increasing the boron levels in body liquids may cause toxicity. The aim of our study is to investigate serum boron levels using ICP-MS after implantation of different ratios of nano-hBN-HA composites in rat femurs. All rats were (n=126) divided into five experimental groups (n=24) and one healthy group (6 rats); healthy (Group1), femoral defect + %100 HA (Group2), femoral defect + %2.5 hBN + %97.5 HA (Group3), femoral defect + %5 hBN + %95 HA (Group4), femoral defect + %10 hBN + %90 HA (Group5), femoral defect + %100 hBN (Group6). The femoral defect was created in the distal femur (3mm drill-bit). Each implant group was divided into four different groups (n=24) also 6 rats sacrificed for each groups in one week intervals during four weeks. In our results; at 1, 2, 3, and 4 weeks after implantation near bone tissue, serum levels of boron were evaluated using ICP-MS. We demonstrated that neither short-term nor long-term implantation of hBN-HA composite resulted in statistically increased serum boron levels in experimental groups compared to healthy group. In conclusion, this study investigated the implant material produced form hBN-HA for the first time. Our data suggest that hBN is a new promising target for biomaterial and implant bioengineers. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis of thin films in boron-carbon-nitrogen ternary system by microwave plasma enhanced chemical vapor deposition

NASA Astrophysics Data System (ADS)

Kukreja, Ratandeep Singh

The Boron Carbon Nitorgen (B-C-N) ternary system includes materials with exceptional properties such as wide band gap, excellent thermal conductivity, high bulk modulus, extreme hardness and transparency in the optical and UV range that find application in most fields ranging from micro-electronics, bio-sensors, and cutting tools to materials for space age technology. Interesting materials that belong to the B-C-N ternary system include Carbon nano-tubes, Boron Carbide, Boron Carbon Nitride (B-CN), hexagonal Boron Nitride ( h-BN), cubic Boron Nitride (c-BN), Diamond and beta Carbon Nitride (beta-C3N4). Synthesis of these materials requires precisely controlled and energetically favorable conditions. Chemical vapor deposition is widely used technique for deposition of thin films of ceramics, metals and metal-organic compounds. Microwave plasma enhanced chemical vapor deposition (MPECVD) is especially interesting because of its ability to deposit materials that are meta-stable under the deposition conditions, for e.g. diamond. In the present study, attempt has been made to synthesize beta-carbon nitride (beta-C3N4) and cubic-Boron Nitride (c-BN) thin films by MPECVD. Also included is the investigation of dependence of residual stress and thermal conductivity of the diamond thin films, deposited by MPECVD, on substrate pre-treatment and deposition temperature. Si incorporated CNx thin films are synthesized and characterized while attempting to deposit beta-C3N4 thin films on Si substrates using Methane (CH4), Nitrogen (N2), and Hydrogen (H2). It is shown that the composition and morphology of Si incorporated CNx thin film can be tailored by controlling the sequence of introduction of the precursor gases in the plasma chamber. Greater than 100mum size hexagonal crystals of N-Si-C are deposited when Nitrogen precursor is introduced first while agglomerates of nano-meter range graphitic needles of C-Si-N are deposited when Carbon precursor is introduced first in the deposition chamber. Hexagonal -- BN thin films are successfully deposited using Diborane (B2H6) (5% in H2), Ammonia (NH3) and H2 as precursor gases in the conventional MPECVD mode with and without the negative DC bias. The quality of h-BN in the films improved with pressure and when NH3 used as the first precursor gas in the deposition chamber. c-BN thin films are successfully deposited using Boron-Trifluoride (BF3) (10% in Argon (Ar)), N2, H2, Ar and Helium (He) gases in the electron cyclotron resonance (ECR) mode of the MPECVD system with negative DC bias. Up-to 66% c-BN in the films is achieved under deposition conditions of lower gas flow rates and higher deposition pressures than that reported in the literature for film deposited by ECR-MPECVD. It is shown that the percentage c-BN in the films correlates with the deposition pressure, BF3/H2 ratio and, negative DC bias during nucleation and growth. Diamond thin films are deposited using 60%Ar, 39% H2 and, 1%CH4 at 600°C, 700°C and 800°C substrate temperatures, measured by an IR pyrometer, on Si substrates pre-treated with 3-6nm diamond sol and 20-40mum diamond slurry. Raman spectroscopy, FTIR, X-Ray diffraction (XRD) and, photo-thermal reflectivity methods are used to characterize the thin films. Residual stresses observed for the diamond thin films deposited in this study are tensile in nature and increased with deposition temperature. Better quality diamond films with lower residual stresses are obtained for films deposited on Si substrate pre-treated with 3-6nm diamond sol. Preliminary results on thermal conductivity, k, suggest that k is directly dependent on the deposition temperature and independent of substrate pre-treatment signifying that the nano-seeding technique can be used to replace conventional surface activation technique for diamond seeding where needed.

Colloidal Covalent Organic Frameworks

PubMed Central

2017-01-01

Covalent organic frameworks (COFs) are two- or three-dimensional (2D or 3D) polymer networks with designed topology and chemical functionality, permanent porosity, and high surface areas. These features are potentially useful for a broad range of applications, including catalysis, optoelectronics, and energy storage devices. But current COF syntheses offer poor control over the material’s morphology and final form, generally providing insoluble and unprocessable microcrystalline powder aggregates. COF polymerizations are often performed under conditions in which the monomers are only partially soluble in the reaction solvent, and this heterogeneity has hindered understanding of their polymerization or crystallization processes. Here we report homogeneous polymerization conditions for boronate ester-linked, 2D COFs that inhibit crystallite precipitation, resulting in stable colloidal suspensions of 2D COF nanoparticles. The hexagonal, layered structures of the colloids are confirmed by small-angle and wide-angle X-ray scattering, and kinetic characterization provides insight into the growth process. The colloid size is modulated by solvent conditions, and the technique is demonstrated for four 2D boronate ester-linked COFs. The diameter of individual COF nanoparticles in solution is monitored and quantified during COF growth and stabilization at elevated temperature using in situ variable-temperature liquid cell transmission electron microscopy imaging, a new characterization technique that complements conventional bulk scattering techniques. Solution casting of the colloids yields a free-standing transparent COF film with retained crystallinity and porosity, as well as preferential crystallite orientation. Collectively this structural control provides new opportunities for understanding COF formation and designing morphologies for device applications. PMID:28149954

Auger electron spectroscopy analysis for growth interface of cubic boron nitride single crystals synthesized under high pressure and high temperature

NASA Astrophysics Data System (ADS)

Lv, Meizhe; Xu, Bin; Cai, Lichao; Guo, Xiaofei; Yuan, Xingdong

2018-05-01

After rapid cooling, cubic boron nitride (c-BN) single crystals synthesized under high pressure and high temperature (HPHT) are wrapped in the white film powders which are defined as growth interface. In order to make clear that the transition mechanism of c-BN single crystals, the variation of B and N atomic hybrid states in the growth interface is analyzed with the help of auger electron spectroscopy in the Li-based system. It is found that the sp2 fractions of B and N atoms decreases, and their sp3 fractions increases from the outer to the inner in the growth interface. In addition, Lithium nitride (Li3N) are not found in the growth interface by X-ray diffraction (XRD) experiment. It is suggested that lithium boron nitride (Li3BN2) is produced by the reaction of hexagonal boron nitride (h-BN) and Li3N at the first step, and then B and N atoms transform from sp2 into sp3 state with the catalysis of Li3BN2 in c-BN single crystals synthesis process.

Ultrasensitive gas detection of large-area boron-doped graphene

DOE PAGES

Lv, Ruitao; Chen, Gugang; Li, Qing; ...

2015-11-02

Heteroatom doping is an efficient way to modify the chemical and electronic properties of graphene. In particular, boron doping is expected to induce a p-type conducting behavior to pristine (undoped) graphene which could lead to diverse applications. But, the experimental progress on atomic scale visualization and sensing properties of large-area boron-doped graphene (BG) sheets is still very scarce. This work describes the controlled growth of centimeter size, high-crystallinity BG sheets. Scanning tunneling microscopy and spectroscopy are used to visualize the atomic structure and the local density of states around boron dopants. We confirmed that BG behaves as a p-type conductormore » and a unique croissant-like feature is frequently observed within the BG lattice, which is caused by the presence of B-C trimmers embedded within the hexagonal lattice. Interestingly, it is demonstrated for the first time that BG exhibits unique sensing capabilities when detecting toxic gases, such as NO 2 and NH 3 , being able to detect extremely low concentrations (e.g. parts per trillion, parts per billion). Our work envisions that other attractive applications could now be explored based on as-synthesized BG.« less

Adsorption of sugars on Al- and Ga-doped boron nitride surfaces: A computational study

NASA Astrophysics Data System (ADS)

Darwish, Ahmed A.; Fadlallah, Mohamed M.; Badawi, Ashraf; Maarouf, Ahmed A.

2016-07-01

Molecular adsorption on surfaces is a key element for many applications, including sensing and catalysis. Non-invasive sugar sensing has been an active area of research due to its importance to diabetes care. The adsorption of sugars on a template surface study is at the heart of matter. Here, we study doped hexagonal boron nitride sheets (h-BNNs) as adsorbing and sensing template for glucose and glucosamine. Using first principles calculations, we find that the adsorption of glucose and glucosamine on h-BNNs is significantly enhanced by the substitutional doping of the sheet with Al and Ga. Including long range van der Waals corrections gives adsorption energies of about 2 eV. In addition to the charge transfer occurring between glucose and the Al/Ga-doped BN sheets, the adsorption alters the size of the band gap, allowing for optical detection of adsorption. We also find that Al-doped boron nitride sheet is better than Ga-doped boron nitride sheet to enhance the adsorption energy of glucose and glucosamine. The results of our work can be potentially utilized when designing support templates for glucose and glucosamine.

Structure of water clusters on graphene: A classical molecular dynamics approach

NASA Astrophysics Data System (ADS)

Maekawa, Yuki; Sasaoka, Kenji; Yamamoto, Takahiro

2018-03-01

The microscopic structure of surface water adsorbed on graphene is elucidated theoretically by classical molecular dynamics simulation. At a low temperature (100 K), the main polygon consisting of hydrogen bonds in single-layered water on graphene is tetragonal, whereas the dominant polygons in double-layered water are tetragonal, pentagonal, and hexagonal. On the other hand, at room temperature, the tetragonal, pentagonal, and hexagonal water clusters are the main structures in both single- and double-layered water.

On Valence-Band Splitting in Layered MoS2.

PubMed

Zhang, Youwei; Li, Hui; Wang, Haomin; Liu, Ran; Zhang, Shi-Li; Qiu, Zhi-Jun

2015-08-25

As a representative two-dimensional semiconducting transition-metal dichalcogenide (TMD), the electronic structure in layered MoS2 is a collective result of quantum confinement, interlayer interaction, and crystal symmetry. A prominent energy splitting in the valence band gives rise to many intriguing electronic, optical, and magnetic phenomena. Despite numerous studies, an experimental determination of valence-band splitting in few-layer MoS2 is still lacking. Here, we show how the valence-band maximum (VBM) splits for one to five layers of MoS2. Interlayer coupling is found to contribute significantly to phonon energy but weakly to VBM splitting in bilayers, due to a small interlayer hopping energy for holes. Hence, spin-orbit coupling is still predominant in the splitting. A temperature-independent VBM splitting, known for single-layer MoS2, is, thus, observed for bilayers. However, a Bose-Einstein type of temperature dependence of VBM splitting prevails in three to five layers of MoS2. In such few-layer MoS2, interlayer coupling is enhanced with a reduced interlayer distance, but thermal expansion upon temperature increase tends to decouple adjacent layers and therefore decreases the splitting energy. Our findings that shed light on the distinctive behaviors about VBM splitting in layered MoS2 may apply to other hexagonal TMDs as well. They will also be helpful in extending our understanding of the TMD electronic structure for potential applications in electronics and optoelectronics.

Acetylene chain reaction on hydrogenated boron nitride monolayers: a density functional theory study.

PubMed

Ponce-Pérez, R; Cocoletzi, Gregorio H; Takeuchi, Noboru

2017-11-28

Spin-polarized first-principles total-energy calculations have been performed to investigate the possible chain reaction of acetylene molecules mediated by hydrogen abstraction on hydrogenated hexagonal boron nitride monolayers. Calculations have been done within the periodic density functional theory (DFT), employing the PBE exchange correlation potential, with van der Waals corrections (vdW-DF). Reactions at two different sites have been considered: hydrogen vacancies on top of boron and on top of nitrogen atoms. As previously calculated, at the intermediate state of the reaction, when the acetylene molecule is attached to the surface, the adsorption energy is of the order of -0.82 eV and -0.20 eV (measured with respect to the energy of the non interacting molecule-substrate system) for adsorption on top of boron and nitrogen atoms, respectively. After the hydrogen abstraction takes place, the system gains additional energy, resulting in adsorption energies of -1.52 eV and -1.30 eV, respectively. These results suggest that the chain reaction is energetically favorable. The calculated minimum energy path (MEP) for hydrogen abstraction shows very small energy barriers of the order of 5 meV and 22 meV for the reaction on top of boron and nitrogen atoms, respectively. Finally, the density of states (DOS) evolution study helps to understand the chain reaction mechanism. Graphical abstract Acetylene chain reaction on hydrogenated boron nitride monolayers.