Chromogenic agar medium for detection and isolation of Escherichia coli serogroups O26,O45,O103,O111,O121, and O145 from fresh beef and cattle feces

USDA-ARS?s Scientific Manuscript database

Non-O157 Shiga toxin–producing Escherichia coli (STEC) strains are clinically important foodborne pathogens. Unlike E. coli O157:H7, these foodborne pathogens have no unique biochemical characteristics to readily distinguish them from other E. coli strains growing on plating media. In this study, a ...

Genome sequencing and comparative genomics of enterohemorrhagic Escherichia coli O145:H25 and O145:H28 reveal distinct evolutionary paths and marked variations in traits associated with virulence & colonization.

PubMed

Lorenz, Sandra C; Gonzalez-Escalona, Narjol; Kotewicz, Michael L; Fischer, Markus; Kase, Julie A

2017-08-22

Enterohemorrhagic Escherichia coli (EHEC) O145 are among the top non-O157 serogroups associated with severe human disease worldwide. Two serotypes, O145:H25 and O145:H28 have been isolated from human patients but little information is available regarding the virulence repertoire, origin and evolutionary relatedness of O145:H25. Hence, we sequenced the complete genome of two O145:H25 strains associated with hemolytic uremic syndrome (HUS) and compared the genomes with those of previously sequenced O145:H28 and other EHEC strains. The genomes of the two O145:H25 strains were 5.3 Mbp in size; slightly smaller than those of O145:H28 and other EHEC strains. Both strains contained three nearly identical plasmids and several prophages and integrative elements, many of which differed significantly in size, gene content and organization as compared to those present in O145:H28 and other EHECs. Furthermore, notable variations were observed in several fimbrial gene cluster and intimin types possessed by O145:H25 and O145:H28 indicating potential adaptation to distinct areas of host colonization. Comparative genomics further revealed that O145:H25 are genetically more similar to other non-O157 EHEC strains than to O145:H28. Phylogenetic analysis accompanied by comparative genomics revealed that O145:H25 and O145:H28 evolved from two separate clonal lineages and that horizontal gene transfer and gene loss played a major role in the divergence of these EHEC serotypes. The data provide further evidence that ruminants might be a possible reservoir for O145:H25 but that they might be impaired in their ability to establish a persistent colonization as compared to other EHEC strains.

Characterization of enterohemorrhagic Escherichia coli O111 and O157 strains isolated from outbreak patients in Japan.

PubMed

Watahiki, Masanori; Isobe, Junko; Kimata, Keiko; Shima, Tomoko; Kanatani, Jun-ichi; Shimizu, Miwako; Nagata, Akihiro; Kawakami, Keiko; Yamada, Mikiko; Izumiya, Hidemasa; Iyoda, Sunao; Morita-Ishihara, Tomoko; Mitobe, Jiro; Terajima, Jun; Ohnishi, Makoto; Sata, Tetsutaro

2014-08-01

In April and May 2011, there was a serious food-poisoning outbreak in Japan caused by enterohemorrhagic Escherichia coli (EHEC) strains O111:H8 and O157:H7 from raw beef dishes at branches of a barbecue restaurant. This outbreak involved 181 infected patients, including 34 hemolytic-uremic syndrome (HUS) cases (19%). Among the 34 HUS patients, 21 developed acute encephalopathy (AE) and 5 died. Patient stool specimens yielded E. coli O111 and O157 strains. We also detected both EHEC O111 stx2 and stx-negative E. coli O111 strains in a stock of meat block from the restaurant. Pulsed-field gel electrophoresis (PFGE) and multilocus variable-number tandem-repeat analysis (MLVA) showed that the stx-negative E. coli O111 isolates were closely related to EHEC O111 stx2 isolates. Although the EHEC O157 strains had diverse stx gene profiles (stx1, stx2, and stx1 stx2), the PFGE and MLVA analyses indicated that these isolates originated from a single clone. Deletion of the Stx2-converting prophage from the EHEC O111 stx2 isolates was frequently observed during in vitro growth, suggesting that strain conversion from an EHEC O111 stx2 to an stx-negative strain may have occurred during infection. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Characterization of Shiga Toxigenic Escherichia coli O157 and Non-O157 Isolates from Ruminant Feces in Malaysia

PubMed Central

Perera, Asanthi; Clarke, Charles M.; Dykes, Gary A.; Fegan, Narelle

2015-01-01

Shiga toxigenic Escherichia coli (STEC) O157 and several other serogroups of non-O157 STEC are causative agents of severe disease in humans world-wide. The present study was conducted to characterize STEC O157 and non-O157 serogroups O26, O103, O111, O121, O45, and O145 in ruminants in Malaysia. A total of 136 ruminant feces samples were collected from 6 different farms in Peninsular Malaysia. Immunomagnetic beads were used to isolate E. coli O157 and non-O157 serogroups, while PCR was used for the detection and subtyping of STEC isolates. STEC O157:H7 was isolated from 6 (4%) feces samples and all isolates obtained carried stx 2c,  eaeA-γ1, and ehxA. Non-O157 STEC was isolated from 2 (1.5%) feces samples with one isolate carrying stx 1a, stx 2a, stx 2c, and ehxA and the other carrying stx 1a alone. The presence of STEC O157 and non-O157 in a small percentage of ruminants in this study together with their virulence characteristics suggests that they may have limited impact on public health. PMID:26539484

Evidence of non-O157 Shiga toxin-producing Escherichia coli in the feces of meat goats at a U.S. slaughter plant.

PubMed

Jacob, M E; Foster, D M; Rogers, A T; Balcomb, C C; Shi, X; Nagaraja, T G

2013-09-01

Shiga toxin-producing Escherichia coli (STEC) are important human pathogens, and attention to non-O157 serogroups has increased in recent years. Although cattle are normally considered the primary reservoir for STEC, recent illnesses associated with goat contact have indicated that these animals are important potential reservoirs for the organisms. The prevalence of STEC, particularly non-O157 serogroups, in U.S. goats has not been well described. Our objective was to determine the prevalence of six major non-O157 STEC serogroups in the feces of meat goats. Rectal contents from 296 goats were collected postevisceration at a slaughter plant in the southeastern United States over 9 days during a 12-week period from August through October 2012. Samples were enriched in E. coli broth, and DNA was extracted and used as template in an 11-gene multiplex PCR that detected six non-O157 serogroups (O26, O45, O103, O121, O111, and O145) and virulence genes. Samples were considered positive when at least one non-O157 STEC serotype was present with either stx₁ or stx₂. All six non-O157 serogroups were detected by PCR in our samples, and 14.5% of samples were positive for at least one serogroup. Prevalence of O26 was highest, with 6.4% of goat fecal samples positive. The prevalence of O45 was 3.4%, O103 was 4.4%, O111 was 4.1%, O121 was 1.4%, and O145 was 3.0%. Twenty-two (7.4%) of 296 fecal samples had more than one non-O157 serogroup detected in the feces. Two samples had evidence of three non-O157 STEC serogroups. Goats appear to be an important reservoir for non-O157 STEC, and further work to understand the characteristics, epidemiology, and ecology of STEC in these animals is warranted.

Sequence Variations in the Flagellar Antigen Genes fliCH25 and fliCH28 of Escherichia coli and Their Use in Identification and Characterization of Enterohemorrhagic E. coli (EHEC) O145:H25 and O145:H28.

PubMed

Beutin, Lothar; Delannoy, Sabine; Fach, Patrick

2015-01-01

Enterohemorrhagic E. coli (EHEC) serogroup O145 is regarded as one of the major EHEC serogroups involved in severe infections in humans. EHEC O145 encompasses motile and non-motile strains of serotypes O145:H25 and O145:H28. Sequencing the fliC-genes associated with the flagellar antigens H25 and H28 revealed the genetic diversity of the fliCH25 and fliCH28 gene sequences in E. coli. Based on allele discrimination of these fliC-genes real-time PCR tests were designed for identification of EHEC O145:H25 and O145:H28. The fliCH25 genes present in O145:H25 were found to be very similar to those present in E. coli serogroups O2, O100, O165, O172 and O177 pointing to their common evolution but were different from fliCH25 genes of a multiple number of other E. coli serotypes. In a similar way, EHEC O145:H28 harbor a characteristic fliCH28 allele which, apart from EHEC O145:H28, was only found in enteropathogenic (EPEC) O28:H28 strains that shared some common traits with EHEC O145:H28. The real time PCR-assays targeting these fliCH25[O145] and fliCH28[O145] alleles allow better characterization of EHEC O145:H25 and EHEC O145:H28. Evaluation of these PCR assays in spiked ready-to eat salad samples resulted in specific detection of both types of EHEC O145 strains even when low spiking levels of 1-10 cfu/g were used. Furthermore these PCR assays allowed identification of non-motile E. coli strains which are serologically not typable for their H-antigens. The combined use of O-antigen genotyping (O145wzy) and detection of the respective fliCH25[O145] and fliCH28[O145] allele types contributes to improve identification and molecular serotyping of E. coli O145 isolates.

A universal polysaccharide conjugated vaccine against O111 E. coli

PubMed Central

Andrade, Gabrielle R; New, Roger R C; Sant’Anna, Osvaldo A; Williams, Neil A; Alves, Rosely C B; Pimenta, Daniel C; Vigerelli, Hugo; Melo, Bruna S; Rocha, Letícia B; Piazza, Roxane M F; Mendonça-Previato, Lucia; Domingos, Marta O

2014-01-01

E. coli O111 strains are responsible for outbreaks of blood diarrhea and hemolytic uremic syndrome throughout the world. Because of their phenotypic variability, the development of a vaccine against these strains which targets an antigen that is common to all of them is quite a challenge. Previous results have indicated, however, that O111 LPS is such a candidate, but its toxicity makes LPS forbidden for human use. To overcome this problem, O111 polysaccharides were conjugated either to cytochrome C or to EtxB (a recombinant B subunit of LT) as carrier proteins. The O111-cytochrome C conjugate was incorporated in silica SBA-15 nanoparticles and administered subcutaneously in rabbits, while the O111-EtxB conjugate was incorporated in VaxcineTM, an oil-based delivery system, and administered orally in mice. The results showed that one year post-vaccination, the conjugate incorporated in silica SBA-15 generated antibodies in rabbits able to inhibit the adhesion of all categories of O111 E. coli to epithelial cells. Importantly, mice immunized orally with the O111-EtxB conjugate in VaxcineTM generated systemic and mucosal humoral responses against all categories of O111 E. coli as well as antibodies able to inhibit the toxic effect of LT in vitro. In summary, the results obtained by using 2 different approaches indicate that a vaccine that targets the O111 antigen has the potential to prevent diarrhea induced by O111 E. coli strains regardless their mechanism of virulence. They also suggest that a conjugated vaccine that uses EtxB as a carrier protein has potential to combat diarrhea induced by ETEC. PMID:25483465

Association of nucleotide polymorphisms within the O-antigen gene cluster of Escherichia coli O26, O45, O103, O111, O121, and O145 with serogroups and genetic subtypes

USDA-ARS?s Scientific Manuscript database

Shiga toxin-producing Escherichia coli (STEC) cause severe disease and hemorrhagic colitis in humans. Of the STECs, E. coli O157:H7 is the most widely recognized and researched serotype, and the majority of cases of hemolytic-uremic syndrome in the United States are associated with this serotype. ...

ArgO145, a Stx2a prophage of a bovine O145:H- STEC strain, is closely related to phages of virulent human strains.

PubMed

Krüger, A; Burgán, J; Friedrich, A W; Rossen, J W A; Lucchesi, P M A

2018-06-01

Shiga toxins (Stx) are the main virulence factor of a pathogroup of Escherichia coli strains that cause severe human diseases. These toxins are encoded in prophages (Stx prophages), and generally their expression depends on prophage induction. Several studies have reported high diversity among both Stx prophages and Stx. In particular, the toxin subtype Stx2a is associated with high virulence and HUS. Here, we report the genome of ArgO145, an inducible Stx2a prophage identified in a bovine O145:H- strain which produced high levels of Shiga toxin and Stx phage particles. The ArgO145 genome shared lambda phage organization, with recombination, regulation, replication, lysis, and head and tail structural gene regions, although some lambda genes encoding regulatory proteins could not be identified. Remarkably, some Stx2a phages of strains isolated from patients in other countries showed high similarity to ArgO145. Copyright © 2018 Elsevier B.V. All rights reserved.

Multiple-locus variable-number tandem repeat analysis for strain discrimination of non-O157 Shiga toxin-producing Escherichia coli.

PubMed

Timmons, Chris; Trees, Eija; Ribot, Efrain M; Gerner-Smidt, Peter; LaFon, Patti; Im, Sung; Ma, Li Maria

2016-06-01

Non-O157 Shiga toxin-producing Escherichia coli (STEC) are foodborne pathogens of growing concern worldwide that have been associated with several recent multistate and multinational outbreaks of foodborne illness. Rapid and sensitive molecular-based bacterial strain discrimination methods are critical for timely outbreak identification and contaminated food source traceback. One such method, multiple-locus variable-number tandem repeat analysis (MLVA), is being used with increasing frequency in foodborne illness outbreak investigations to augment the current gold standard bacterial subtyping technique, pulsed-field gel electrophoresis (PFGE). The objective of this study was to develop a MLVA assay for intra- and inter-serogroup discrimination of six major non-O157 STEC serogroups-O26, O111, O103, O121, O45, and O145-and perform a preliminary internal validation of the method on a limited number of clinical isolates. The resultant MLVA scheme consists of ten variable number tandem repeat (VNTR) loci amplified in three multiplex PCR reactions. Sixty-five unique MLVA types were obtained among 84 clinical non-O157 STEC strains comprised of geographically diverse sporadic and outbreak related isolates. Compared to PFGE, the developed MLVA scheme allowed similar discrimination among serogroups O26, O111, O103, and O121 but not among O145 and O45. To more fully compare the discriminatory power of this preliminary MLVA method to PFGE and to determine its epidemiological congruence, a thorough internal and external validation needs to be performed on a carefully selected large panel of strains, including multiple isolates from single outbreaks. Copyright © 2016. Published by Elsevier B.V.

Epitaxial growth of (111)-oriented BaTiO3/SrTiO3 perovskite superlattices on Pt(111)/Ti/Al2O3(0001) substrates

NASA Astrophysics Data System (ADS)

Panomsuwan, Gasidit; Takai, Osamu; Saito, Nagahiro

2013-09-01

Symmetric BaTiO3/SrTiO3 (BTO/STO) superlattices (SLs) were epitaxially grown on Pt(111)/Ti/Al2O3(0001) substrates with various modulation periods (Λ = 4.8 - 48 nm) using double ion beam sputter deposition. The BTO/STO SLs exhibit high (111) orientation with two in-plane orientation variants related by a 180° rotation along the [111]Pt axis. The BTO layer is under an in-plane compressive state, whereas the STO layer is under an in-plane tensile state due to the effect of lattice mismatch. A remarkable enhancement of dielectric constant is observed for the SL with relatively small modulation period, which is attributed to both the interlayer biaxial strain effect and the Maxwell-Wagner effect.

House Flies in the Confined Cattle Environment Carry Non-O157 Shiga Toxin-Producing Escherichia coli.

PubMed

Puri-Giri, R; Ghosh, A; Thomson, J L; Zurek, L

2017-05-01

Cattle manure is one of the primary larval developmental habitats of house flies, Musca domestica (L.). Cattle serve as asymptomatic reservoirs of Shiga toxin-producing Escherichia coli (STEC), and bacteria are released into the environment in cattle feces. The USDA-FSIS declared seven STEC serogroups (O157, O26, O45, O103, O145, O121, and O111) as adulterants in beef products. In addition, the serogroup O104 was a culprit of a large outbreak in Germany in 2011. Our study aimed to assess the prevalence of seven non-O157 STEC (O26, O45, O145, O103, O121, O111, and O104) serogroups in adult house flies. Flies (n = 463) were collected from nine feedlots and three dairy farms in six states in the United States and individually processed. This involved a culturing approach with immunomagnetic separation followed by multiplex polymerase chain reactions for detection of individual serogroups and virulence traits. The concentration of bacteria on modified Possé agar ranged between 1.0 × 101 and 7.0 × 107 (mean: 1.5 ± 0.3 × 106) CFU/fly. Out of 463 house flies, 159 (34.3%) carried one or more of six E. coli serogroups of interest. However, STEC was found in 1.5% of house flies from feedlots only. These were E. coli O103 and O104 harboring stx1 and ehxA and E. coli O45 with stx1, eae, and ehxA. This is the first study reporting the isolation of non-O157 STEC in house flies from the confined cattle environment and indicating a potential role of this insect as a vector and reservoir of non-O157 STEC in confined beef cattle. © The Authors 2017. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Structural characterization of niobium oxide thin films grown on SrTiO3 (111) and (La,Sr)(Al,Ta)O3 (111) substrates

NASA Astrophysics Data System (ADS)

Dhamdhere, Ajit R.; Hadamek, Tobias; Posadas, Agham B.; Demkov, Alexander A.; Smith, David J.

2016-12-01

Niobium oxide thin films have been grown by molecular beam epitaxy on SrTiO3 (STO) (111) and (La0.18Sr0.82)(Al0.59Ta0.41)O3 (LSAT) (111) substrates. Transmission electron microscopy (TEM) confirmed the formation of high quality films with coherent interfaces. Films grown with higher oxygen pressure on STO (111) resulted in a (110)-oriented NbO2 phase with a distorted rutile structure, which can be described as body-centered tetragonal. The a lattice parameter of NbO2 was determined to be ˜13.8 Å in good agreement with neutron diffraction results published in the literature. Films grown on LSAT (111) at lower oxygen pressure produced the NbO phase with a defective rock salt cubic structure. The NbO lattice parameter was determined to be a ≈ 4.26 Å. The film phase/structure identification from TEM was in good agreement with in situ x-ray photoelectron spectroscopy measurements that confirmed the dioxide and monoxide phases, respectively. The atomic structure of the NbO2/STO and NbO/LSAT interfaces was determined based on comparisons between high-resolution electron micrographs and image simulations.

Sequence Variations in the Flagellar Antigen Genes fliC H25 and fliC H28 of Escherichia coli and Their Use in Identification and Characterization of Enterohemorrhagic E. coli (EHEC) O145:H25 and O145:H28

PubMed Central

Beutin, Lothar; Delannoy, Sabine; Fach, Patrick

2015-01-01

Enterohemorrhagic E. coli (EHEC) serogroup O145 is regarded as one of the major EHEC serogroups involved in severe infections in humans. EHEC O145 encompasses motile and non-motile strains of serotypes O145:H25 and O145:H28. Sequencing the fliC-genes associated with the flagellar antigens H25 and H28 revealed the genetic diversity of the fliC H25 and fliC H28 gene sequences in E. coli. Based on allele discrimination of these fliC-genes real-time PCR tests were designed for identification of EHEC O145:H25 and O145:H28. The fliC H25 genes present in O145:H25 were found to be very similar to those present in E. coli serogroups O2, O100, O165, O172 and O177 pointing to their common evolution but were different from fliC H25 genes of a multiple number of other E. coli serotypes. In a similar way, EHEC O145:H28 harbor a characteristic fliC H28 allele which, apart from EHEC O145:H28, was only found in enteropathogenic (EPEC) O28:H28 strains that shared some common traits with EHEC O145:H28. The real time PCR-assays targeting these fliC H25[O145] and fliC H28[O145] alleles allow better characterization of EHEC O145:H25 and EHEC O145:H28. Evaluation of these PCR assays in spiked ready-to eat salad samples resulted in specific detection of both types of EHEC O145 strains even when low spiking levels of 1–10 cfu/g were used. Furthermore these PCR assays allowed identification of non-motile E. coli strains which are serologically not typable for their H-antigens. The combined use of O-antigen genotyping (O145wzy) and detection of the respective fliC H25[O145] and fliC H28[O145] allele types contributes to improve identification and molecular serotyping of E. coli O145 isolates. PMID:26000885

Mars at Ls 145o: Acidalia/Mare Erythraeum

NASA Technical Reports Server (NTRS)

2005-01-01

11 January 2004 This picture is a composite of Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) daily global images acquired at Ls 145o during a previous Mars year. This month, Mars looks similar, as Ls 145o occurs in mid-January 2005.

This picture shows the Acidalia/Mare Erythraeum face of Mars. Over the course of the month, additional faces of Mars as it appears at this time of year are being posted for MOC Picture of the Day.

Ls, solar longitude, is a measure of the time of year on Mars. Mars travels 360o around the Sun in 1 Mars year. The year begins at Ls 0o--the start of northern spring and southern summer. In January 2005, it is northern summer and southern winter. The seasons on Mars occur according to Ls, described in thefollowing table:

Ls Season 0 - 90 northern spring, southern autumn 90 - 180 northern summer, southern winter 180 - 270 northern autumn, southern spring 270 - 360 northern winter, southern summer

Flower-like ZnO nanorod arrays grown on HF-etched Si (111): constraining relation between ZnO seed layer and Si (111)

NASA Astrophysics Data System (ADS)

Brahma, Sanjaya; Liu, C.-W.; Huang, R.-J.; Chang, S.-J.; Lo, K.-Y.

2015-11-01

We demonstrate the formation of self-assembled homogenous flower-like ZnO nanorods over a ZnO seed layer deposited on a HF-etched Si (111) substrate. The typical flower-like morphology of ZnO nanorod arrays is ascribed to the formation of the island-like seed layer which is deposited by the drop method followed by annealing at 300 °C. The island-like ZnO seed layer consists of larger ZnO grains, and is built by constraining of the Si (111) surface due to pattern matching. Pattern matching of Si with ZnO determines the shape and size of the seed layer and this controls the final morphology of ZnO nanorods to be either flower like or vertically aligned. The high quality of the island-like ZnO seed layer enhances the diameter and length of ZnO nanorods. Besides, while the amorphous layer formed during the annealing process would influence the strained ZnO grain, that subsequent amorphous layer will not block the constraining between the ZnO grain and the substrate.

Occurrence of Escherichia coli O157, O111 and O26 in raw ewe's milk and performance of two enrichment broths and two plating media used for its assessment.

PubMed

Caro, Irma; Mateo, Javier; Rúa, Javier; Del Rosario García-Armesto, María

2011-03-15

The occurrence of Escherichia coli O157, O111 and O26 in 159 raw ewe's milk samples was examined. Sample-aliquots were incubated simultaneously in TSB added with yeast extract (YETSB) and mTSB with novobiocin (N-mTSB). Serogroup-specific immunomagnetic separation (IMS) was then used and IMS beads were plated in a cefixime tellurite (CT)-containing media (CT-SMAC, CT-SBMAC and CT-RMAC for E. coli O157, O111 and O26, respectively) and E. coli O157:H7 chromogenic ID agar. A sweep of confluent growth from each medium was examined for the presence of E. coli O157 and O111 using PCR, and for E. coli O26 using a latex agglutination test. Enumeration of E. coli O157 and O111 was performed in the samples tested positive for the correspondent serogroup using the most probable number (MPN) method combined with PCR. Percentage occurrences of E. coli O157, O111 and O26 were 18.2, 8.2 and 5.7, respectively. Mean E. coli O157 and O111 levels were 0.22 and <0.04 MPN/mL, respectively. Enrichment in YETSB resulted in higher detection rates of E. coli O157 and O26 than in N-mTSB. When YETSB was used as enrichment broth and for these last two serogroups, the analysis of the confluent growth from the CT-media gave more positive results than that from E. coli O157:H7-ID medium. Copyright © 2010 Elsevier B.V. All rights reserved.

Epiphytic survival of Shiga-toxigenic Escherichia coli O145 on baby spinach plants

USDA-ARS?s Scientific Manuscript database

Introduction: Non-O157 Shiga-toxigenic E. coli (STEC) have contaminated leafy greens. In early 2010, 26 confirmed illnesses were traced to a multi-state outbreak involving shredded romaine lettuce contaminated with E. coli O145, a STEC. It is possible that the O145 serotype may be suited for gro...

Morphology of size-selected Ptn clusters on CeO2(111)

NASA Astrophysics Data System (ADS)

Shahed, Syed Mohammad Fakruddin; Beniya, Atsushi; Hirata, Hirohito; Watanabe, Yoshihide

2018-03-01

Supported Pt catalysts and ceria are well known for their application in automotive exhaust catalysts. Size-selected Pt clusters supported on a CeO2(111) surface exhibit distinct physical and chemical properties. We investigated the morphology of the size-selected Ptn (n = 5-13) clusters on a CeO2(111) surface using scanning tunneling microscopy at room temperature. Ptn clusters prefer a two-dimensional morphology for n = 5 and a three-dimensional (3D) morphology for n ≥ 6. We further observed the preference for a 3D tri-layer structure when n ≥ 10. For each cluster size, we quantitatively estimated the relative fraction of the clusters for each type of morphology. Size-dependent morphology of the Ptn clusters on the CeO2(111) surface was attributed to the Pt-Pt interaction in the cluster and the Pt-O interaction between the cluster and CeO2(111) surface. The results obtained herein provide a clear understanding of the size-dependent morphology of the Ptn clusters on a CeO2(111) surface.

Morphology of size-selected Ptn clusters on CeO2(111).

PubMed

Shahed, Syed Mohammad Fakruddin; Beniya, Atsushi; Hirata, Hirohito; Watanabe, Yoshihide

2018-03-21

Supported Pt catalysts and ceria are well known for their application in automotive exhaust catalysts. Size-selected Pt clusters supported on a CeO 2 (111) surface exhibit distinct physical and chemical properties. We investigated the morphology of the size-selected Pt n (n = 5-13) clusters on a CeO 2 (111) surface using scanning tunneling microscopy at room temperature. Pt n clusters prefer a two-dimensional morphology for n = 5 and a three-dimensional (3D) morphology for n ≥ 6. We further observed the preference for a 3D tri-layer structure when n ≥ 10. For each cluster size, we quantitatively estimated the relative fraction of the clusters for each type of morphology. Size-dependent morphology of the Pt n clusters on the CeO 2 (111) surface was attributed to the Pt-Pt interaction in the cluster and the Pt-O interaction between the cluster and CeO 2 (111) surface. The results obtained herein provide a clear understanding of the size-dependent morphology of the Pt n clusters on a CeO 2 (111) surface.

Atomic structure of (111) SrTiO3/Pt interfaces

NASA Astrophysics Data System (ADS)

Schmidt, Steffen; Klenov, Dmitri O.; Keane, Sean P.; Lu, Jiwei; Mates, Thomas E.; Stemmer, Susanne

2006-03-01

Atomic resolution high-angle annular dark field (HAADF) imaging in scanning transmission electron microscopy was used to investigate the interface atomic structure of epitaxial, (111) oriented SrTiO3 films on epitaxial Pt electrodes grown on (0001) sapphire. The cube-on-cube orientation relationship of SrTiO3 on Pt was promoted by the use of a Ti adhesion layer underneath the Pt electrode. While a Ti-rich Pt surface was observed before SrTiO3 growth, HAADF images showed an atomically abrupt SrTiO3/Pt interface with no interfacial layers. The SrTiO3 films contained two twin variants that were related by a 180° rotation about the ⟨111⟩ surface normal. HAADF images showed two different interface atomic arrangements for the two twins. The role of Ti in promoting (111) epitaxy and the implications for the dielectric properties are discussed.

Hydrogenation of CO 2 to methanol on CeO x/Cu(111) and ZnO/Cu(111) catalysts: Role of the metal-oxide interface and importance of Ce 3+ sites

DOE PAGES

Senanayake, Sanjaya D.; Ramirez, Pedro J.; Waluyo, Iradwikanari; ...

2016-01-06

The role of the interface between a metal and oxide (CeO x–Cu and ZnO–Cu) is critical to the production of methanol through the hydrogenation of CO 2 (CO 2 + 3H 2 → CH 3OH + H 2O). The deposition of nanoparticles of CeO x or ZnO on Cu(111), θ oxi < 0.3 monolayer, produces highly active catalysts for methanol synthesis. The catalytic activity of these systems increases in the sequence: Cu(111) < ZnO/Cu(111) < CeO x/Cu(111). The apparent activation energy for the CO 2 → CH 3OH conversion decreases from 25 kcal/mol on Cu(111) to 16 kcal/mol on ZnO/Cu(111)more » and 13 kcal/mol on CeO x/Cu(111). The surface chemistry of the highly active CeO x–Cu(111) interface was investigated using ambient pressure X-ray photoemission spectroscopy (AP-XPS) and infrared reflection absorption spectroscopy (AP-IRRAS). Both techniques point to the formation of formates (HCOO –) and carboxylates (CO 2 δ–) during the reaction. Our results show an active state of the catalyst rich in Ce 3+ sites which stabilize a CO 2 δ– species that is an essential intermediate for the production of methanol. Furthermore, the inverse oxide/metal configuration favors strong metal–oxide interactions and makes possible reaction channels not seen in conventional metal/oxide catalysts.« less

Low-Temperature Preparation of (111)-oriented Pb(Zr,Ti)O3 Films Using Lattice-Matched (111)SrRuO3/Pt Bottom Electrode by Metal-Organic Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Kuwabara, Hiroki; Sumi, Akihiro; Okamoto, Shoji; Hoko, Hiromasa; Cross, Jeffrey S.; Funakubo, Hiroshi

2009-04-01

Pb(Zr0.35Ti0.65)O3 (PZT) films 170 nm thick were prepared at 415 °C by pulsed metal-organic chemical vapor deposition. The (111)-oriented PZT films with local epitaxial growth were obtained on (111)SrRuO3/(111)Pt/TiO2/SiO2/Si substrates and their ferroelectricities were ascertained. Ferroelectricity was improved by postannealing under O2 gas flow up to 550 °C. Larger remanent polarization and better fatigue endurance were obtained using a SrRuO3 top electrode compared to a Pt top electrode for PZT films after annealing at 500 °C.

Identification of the anti-terminator qO111:H)- gene in Norwegian sorbitol-fermenting Escherichia coli O157:NM.

PubMed

Haugum, Kjersti; Lindstedt, Bjørn-Arne; Løbersli, Inger; Kapperud, Georg; Brandal, Lin Thorstensen

2012-04-01

Sorbitol-fermenting Escherichia coli O157:NM (SF O157) is an emerging pathogen suggested to be more virulent than nonsorbitol-fermenting Escherichia coli O157:H7 (NSF O157). Important virulence factors are the Shiga toxins (stx), encoded by stx1 and/or stx2 located within prophages integrated in the bacterial genome. The stx genes are expressed from p(R) (') as a late protein, and anti-terminator activity from the Q protein is necessary for read through of the late terminator t(R) (') and activation of p(R) (') . We investigated the regulation of stx2(EDL933) expression at the genomic level in 17 Norwegian SF O157. Sequencing of three selected SF O157 strains revealed that the anti-terminator q gene and genes upstream of stx2(EDL933) were identical or similar to the ones observed in the E. coli O111:H- strain AP010960, but different from the ones observed in the NSF O157 strain EDL933 (AE005174). This suggested divergent stx2(EDL933) -encoding bacteriophages between NSF O157 and the SF O157 strains (FR874039-41). Furthermore, different DNA structures were detected in the SF O157 strains, suggesting diversity among bacteriophages also within the SF O157 group. Further investigations are needed to elucidate whether the q(O111:H) (-) gene observed in all our SF O157 contributes to the increased virulence seen in SF O157 compared to NSF O157. An assay for detecting q(O111:H) (-) was developed. © 2012 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

New system for multilocus variable-number tandem-repeat analysis of the enterohemorrhagic Escherichia coli strains belonging to three major serogroups: O157, O26, and O111.

PubMed

Izumiya, Hidemasa; Pei, Yingxin; Terajima, Jun; Ohnishi, Makoto; Hayashi, Tetsuya; Iyoda, Sunao; Watanabe, Haruo

2010-10-01

Enterohemorrhagic Escherichia coli (EHEC), a food- and waterborne pathogen, causes diarrhea, hemorrhagic colitis, and life-threatening HUS. MLVA is a newly developed and widely accepted genotyping tool. An MLVA system for EHEC O157 involving nine genomic loci has already been established. However, the present study revealed that the above-mentioned MLVA system cannot analyze EHEC O26 and O111 isolates-the second and third most dominant EHEC serogroups in Japan, respectively. Therefore, with several modifications to the O157 system and the use of nine additional loci, we developed an expanded MLVA system applicable to EHEC O26, O111, and O157. Our MLVA system had a relatively high resolution power for each of the three serogroups: Simpson's index of diversity was 0.991 (95% CI = 0.989-0.993), 0.988 (95% CI, 0.986-0.990), and 0.986 (95% CI, 0.979-0.993) for O26, O111, and O157, respectively. This system also detected outbreak-related isolates; the isolates collected during each of the 12 O26 and O111 outbreaks formed unique clusters, and most of the repeat copy numbers among the isolates collected during the same outbreak exhibited no or single-locus variations. These results were comparable to those of cluster analyses based on PFGE profiles. Therefore, our system can complement PFGE analysis-the current golden method. Because EHEC strains of three major serogroups can be rapidly analyzed on a single platform with our expanded MLVA system, this system could be widely used in molecular epidemiological studies of EHEC infections. © 2010 The Societies and Blackwell Publishing Asia Pty Ltd.

Complete genome sequences of two atypical enteropathogenic Escherichia coli O145 environmental strains

USDA-ARS?s Scientific Manuscript database

Escherichia coli O145 strains RM14715 and RM14723 were isolated from wildlife feces near a leafy greens-growing region in Yuma, Arizona. Both strains carry a distinct genotype compared with the E. coli O145 strains isolated from Salinas Valley, California. Here we report complete genome sequences an...

Prevalence and pathogen load of Campylobacter spp., Salmonella enterica and Escherichia coli O157/O145 serogroup in sheep faeces collected at sale yards and in abattoir effluent in Western Australia.

PubMed

Yang, R; Abraham, S; Gardner, G E; Ryan, U; Jacobson, C

2017-05-01

Develop a multiplex quantitative PCR assay to investigate the prevalence and shedding of Escherichia coli O157/O145, Salmonella spp. and Campylobacter spp. in sheep at sale yards and abattoirs. A qPCR for E. coli O157/O145 was developed, validated and multiplexed with an existing qPCR for Campylobacter and Salmonella enterica. The absolute numbers of E. coli O157/O145, Campylobacter and Salmonella in control samples was determined using droplet digital PCR. These were then used as the controls in the multiplex qPCR on a total of 474 sheep faecal samples collected from two saleyards over a 4-month period (April-July 2014) and 96 effluent samples from an abattoir. The mutiplex qPCR was specific with a sensitivity of 5 organisms/μL faecal DNA extract for Campylobacter, S. enterica and E. coli O157/O145. The overall prevalence of Campylobacter, S. enterica and E. coli O157/O145 in faecal samples was 5.7%, 3.6% and 8.4% and in effluent samples was 18.8%, 6.3% and 5.2%, respectively. The pathogen loads of Campylobacter, S. enterica and E. coli O157/O145 in faecal and effluent samples was also determined via mutiplex qPCR. The overall prevalences of Campylobacter, S. enterica and E. coli O157/O145 were generally low (<6%), but point prevalences ranged considerably in healthy sheep (up to 26% for E. coli O157/O145). Further work to determine risk factors for shedding of bacterial organisms in meat sheep in the pre-slaughter period (on-farm, sale yards and lairage at abattoirs) could further reduce the risk of contamination of meat products. © 2017 Australian Veterinary Association.

Virulence profiling and quantification of verocytotoxin-producing Escherichia coli O145:H28 and O26:H11 isolated during an ice cream-related hemolytic uremic syndrome outbreak.

PubMed

Buvens, Glenn; Possé, Björn; De Schrijver, Koen; De Zutter, Lieven; Lauwers, Sabine; Piérard, Denis

2011-03-01

In September-October 2007, a mixed-serotype outbreak of verocytotoxin-producing Escherichia coli (VTEC) O145:H28 and O26:H11 occurred in the province of Antwerp, Belgium. Five girls aged between 2 and 11 years developed hemolytic uremic syndrome, and seven other coexposed persons with bloody diarrhea were identified. Laboratory confirmation of O145:H28 infection was obtained for three hemolytic uremic syndrome patients, one of whom was coinfected with O26:H11. The epidemiological and laboratory investigations revealed ice cream as the most likely source of the outbreak. The ice cream was produced at a local dairy farm using pasteurized milk. VTEC of both serotypes with indistinguishable pulsed-field gel electrophoresis patterns were isolated from patients, ice cream, and environmental samples. Quantitative analysis of the ice cream indicated concentrations of 2.4 and 0.03 CFU/g for VTEC O145 and O26, respectively. Virulence typing revealed that the repertoire of virulence genes carried by the O145:H28 outbreak strain was comparable to that of O157 VTEC and more exhaustive as compared to the O26:H11 outbreak strain and nonrelated clinical strains belonging to these serotypes. Taken together, these data suggest that O145:H28 played the most important role in this outbreak.

Outbreak of verocytotoxin-producing E. coli O145 and O26 infections associated with the consumption of ice cream produced at a farm, Belgium, 2007.

PubMed

De Schrijver, K; Buvens, G; Possé, B; Van den Branden, D; Oosterlynck, O; De Zutter, L; Eilers, K; Piérard, D; Dierick, K; Van Damme-Lombaerts, R; Lauwers, C; Jacobs, R

2008-02-14

In October 2007, an outbreak of verocytotoxin-producing Escherichia coli (VTEC) O145 and E. coli O26 occurred among consumers of ice cream produced and sold in September 2007 at a farm in the province of Antwerp (Belgium). The ice cream was consumed at two birthday parties and also eaten at the farm. Five children, aged between two and 11 years, developed haemolytic uraemic syndrome (HUS), and seven other co-exposed persons contracted severe diarrhoea. In three of the five HUS cases VTEC O145 infections were laboratory confirmed, one in association with VTEC O26. Identical isolates of E. coli O145 and O26 were detected with PCR and PFGE in faecal samples of patients and in ice cream leftovers from one of the birthday parties, in faecal samples taken from calves, and in samples of soiled straw from the farm at which the ice cream was produced. Ice cream was made from pasteurised milk and most likely contaminated by one of food handlers.

Interface magnetism and electronic structure: ZnO(0001)/Co3O4 (111)

NASA Astrophysics Data System (ADS)

Kupchak, I. M.; Serpak, N. F.; Shkrebtii, A.; Hayn, R.

2018-03-01

We have studied the structural, electronic, and magnetic properties of spinel Co3O4 (111) surfaces and their interfaces with ZnO(0001) using density functional theory within the generalized gradient approximation with the on-site Coulomb repulsion term. Two possible forms of spinel surface, containing Co2 + or Co3 + ions and terminated with either cobalt or oxygen ions, were considered, as well as their interface with zinc oxide. Our calculations demonstrate that Co3 + ions attain nonzero magnetic moments at the surface and interface, in contrast to the bulk, where they are not magnetic, leading to the ferromagnetic ordering. Since heavily Co doped ZnO samples can contain a Co3O4 secondary phase, such magnetic ordering at the interface might explain the origin of the magnetism in such diluted magnetic semiconductors.

Isolation and characterization of non-O157 Shiga toxin-producing Escherichia coli from beef carcasses, cuts and trimmings of abattoirs in Argentina

PubMed Central

Brusa, Victoria; Restovich, Viviana; Galli, Lucía; Teitelbaum, David; Signorini, Marcelo; Brasesco, Hebe; Londero, Alejandra; García, Diego; Padola, Nora Lía; Superno, Valeria; Sanz, Marcelo; Petroli, Sandra; Costa, Magdalena; Bruzzone, Mariana; Sucari, Adriana; Ferreghini, Marcela; Linares, Luciano; Suberbie, Germán; Rodríguez, Ricardo

2017-01-01

Several foods contaminated with Shiga toxin-producing Escherichia coli (STEC) are associated with human diseases. Some countries have established microbiological criteria for non-O157 STEC, thus, the absence of serogroups O26, O45, O103, O104, O111, O121, and O145 in sprouts from the European Union or ground beef and beef trimmings from the United States is mandatory. While in Argentina screening for O26, O103, O111, O145 and O121 in ground beef, ready-to-eat food, sausages and vegetables is mandatory, other countries have zero-tolerance for all STEC in chilled beef. The aim of this study was to provide data on the prevalence of non-O157 STEC isolated from beef processed in eight Argentinean cattle slaughterhouses producing beef for export and local markets, and to know the non-O157 STEC profiles through strain characterization and genotypic analysis. Samples (n = 15,965) from 3,205 beef carcasses, 9,570 cuts and 3,190 trimmings collected between March and September 2014 were processed in pools of five samples each. Pools of samples (n = 3,193) from 641 carcasses, 1,914 cuts and 638 trimming were analyzed for non-O157 STEC isolation according to ISO/CEN 13136:2012. Of these, 37 pools of carcasses (5.8%), 111 pools of cuts (5.8%) and 45 pools of trimmings (7.0%) were positive for non-O157 STEC. STEC strains (n = 200) were isolated from 193 pools of samples. The most prevalent serotypes were O174:H21, O185:H7, O8:H19, O178:H19 and O130:H11, and the most prevalent genotypes were stx2c(vh-b) and stx2a/saa/ehxA. O103:H21 strain was eae-positive and one O178:H19 strain was aggR/aaiC-positive. The prevalence of non-O157 STEC in beef carcasses reported here was low. None of the non-O157 STEC strains isolated corresponded to the non-O157 STEC serotypes and virulence profiles isolated from human cases in Argentina in the same study period. The application of microbiological criteria for each foodstuff should be determined by risk analysis in order to have a stringent

Ferroelectricity emerging in strained (111)-textured ZrO{sub 2} thin films

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

Fan, Zhen, E-mail: a0082709@u.nus.edu, E-mail: msecj@nus.edu.sg; Deng, Jinyu; Liu, Ziyan

2016-01-04

(Anti-)ferroelectricity in complementary metal-oxide-semiconductor (CMOS)-compatible binary oxides have attracted considerable research interest recently. Here, we show that by using substrate-induced strain, the orthorhombic phase and the desired ferroelectricity could be achieved in ZrO{sub 2} thin films. Our theoretical analyses suggest that the strain imposed on the ZrO{sub 2} (111) film by the TiN/MgO (001) substrate would energetically favor the tetragonal (t) and orthorhombic (o) phases over the monoclinic (m) phase of ZrO{sub 2}, and the compressive strain along certain 〈11-2〉 directions may further stabilize the o-phase. Experimentally ZrO{sub 2} thin films are sputtered onto the MgO (001) substrates buffered bymore » epitaxial TiN layers. ZrO{sub 2} thin films exhibit t- and o-phases, which are highly (111)-textured and strained, as evidenced by X-ray diffraction and transmission electron microscopy. Both polarization-electric field (P-E) loops and corresponding current responses to voltage stimulations measured with appropriate applied fields reveal the ferroelectric sub-loop behavior of the ZrO{sub 2} films at certain thicknesses, confirming that the ferroelectric o-phase has been developed in the strained (111)-textured ZrO{sub 2} films. However, further increasing the applied field leads to the disappearance of ferroelectric hysteresis, the possible reasons of which are discussed.« less

Topological magnetic phase in LaMnO3 (111) bilayer

NASA Astrophysics Data System (ADS)

Weng, Yakui; Huang, Xin; Yao, Yugui; Dong, Shuai

Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as Hubbard type correlation, are expected in the (111) bilayer of perovskite-structural transition-metal oxides. Based on the first-principles calculation and tight-binding model, the electronic structure of a LaMnO3 (111) bilayer sandwiched in LaScO3 barriers has been investigated. For the ideal undistorted perovskite structure, the Fermi energy of LaMnO3 (111) bilayer just stays at the Dirac point, rendering a semi-metal (graphene-like) which is also a half-metal (different from graphene nor previous studied LaNiO3 (111) bilayer). The Dirac cone can be opened by the spin-orbit coupling, giving rise to nontrivial topological bands corresponding to the (quantized) anomalous Hall effect. For the realistic orthorhombic distorted lattice, the Dirac point moves with increasing Hubbard repulsion (or equivalent Jahn-Teller distortion). Finally, a Mott gap opens, establishing a phase boundary between the Mott insulator and topological magnetic insulator. Our calculation finds that the gap opened by spin-orbit coupling is much smaller in the orthorhombic distorted lattice (~ 1 . 7 meV) than the undistorted one (~11 meV).

Reaction mechanism of CO oxidation on Cu2O(111): A density functional study

NASA Astrophysics Data System (ADS)

Sun, Bao-Zhen; Chen, Wen-Kai; Xu, Yi-Jun

2010-10-01

The possible reaction mechanisms for CO oxidation on the perfect Cu2O(111) surface have been investigated by performing periodic density functional theoretical calculations. We find that Cu2O(111) is able to facilitate the CO oxidation with different mechanisms. Four possible mechanisms are explored (denoted as MER1, MER2, MLH1, and MLH2, respectively): MER1 is CO(gas)+O2(ads)-->CO2(gas) MER2 is CO(gas)+O2(ads)-->CO3(ads)-->O(ads)+CO2(gas) MLH1 refers to CO(ads)+O2(ads)-->O(ads)+CO2(ads) and MLH2 refers to CO(ads)+O2(ads)-->OOCO(ads)-->O(ads)+CO2(ads). Our transition state calculations clearly reveal that MER1 and MLH2 are both viable; but MER1 mechanism preferentially operates, in which only a moderate energy barrier (60.22 kJ/mol) needs to be overcome. When CO oxidation takes place along MER2 path, it is facile for CO3 formation, but is difficult for its decomposition, thereby CO3 species can stably exist on Cu2O(111). Of course, the reaction of CO with lattice O of Cu2O(111) is also considered. However, the calculated barrier is 600.00 kJ/mol, which is too large to make the path feasible. So, we believe that on Cu2O(111), CO reacts with adsorbed O, rather than lattice O, to form CO2. This is different from the usual Mars-van Krevene mechanism. The present results enrich our understanding of the catalytic oxidation of CO by copper-based and metal-oxide catalysts.

Multiplex Quantitative PCR Assays for the Detection and Quantification of the Six Major Non-O157 Escherichia coli Serogroups in Cattle Feces.

PubMed

Shridhar, P B; Noll, L W; Shi, X; An, B; Cernicchiaro, N; Renter, D G; Nagaraja, T G; Bai, J

2016-01-01

Shiga toxin-producing Escherichia coli (STEC) serogroups O26, O45, O103, O111, O121, and O145, called non-O157 STEC, are important foodborne pathogens. Cattle, a major reservoir, harbor the organisms in the hindgut and shed them in the feces. Although limited data exist on fecal shedding, concentrations of non-O157 STEC in feces have not been reported. The objectives of our study were (i) to develop and validate two multiplex quantitative PCR (mqPCR) assays, targeting O-antigen genes of O26, O103, and O111 (mqPCR-1) and O45, O121, and O145 (mqPCR-2); (ii) to utilize the two assays, together with a previously developed four-plex qPCR assay (mqPCR-3) targeting the O157 antigen and three virulence genes (stx1, stx2, and eae), to quantify seven serogroups and three virulence genes in cattle feces; and (iii) to compare the three mqPCR assays to a 10-plex conventional PCR (cPCR) targeting seven serogroups and three virulence genes and culture methods to detect seven E. coli serogroups in cattle feces. The two mqPCR assays (1 and 2) were shown to be specific to the target genes, and the detection limits were 4 and 2 log CFU/g of pure culture-spiked fecal samples, before and after enrichment, respectively. A total of 576 fecal samples collected from a feedlot were enriched in E. coli broth and were subjected to quantification (before enrichment) and detection (after enrichment). Of the 576 fecal samples subjected, before enrichment, to three mqPCR assays for quantification, 175 (30.4%) were quantifiable (≥4 log CFU/g) for at least one of the seven serogroups, with O157 being the most common serogroup. The three mqPCR assays detected higher proportions of postenriched fecal samples (P > 0.01) as positive for one or more serogroups compared with cPCR and culture methods. This is the first study to assess the applicability of qPCR assays to detect and quantify six non-O157 serogroups in cattle feces and to generate data on fecal concentration of the six serogroups.

Evaluation of mericon E. coli O157 Screen Plus and mericon E. coli STEC O-Type Pathogen Detection Assays in Select Foods: Collaborative Study, First Action 2017.05.

PubMed

Bird, Patrick; Benzinger, M Joseph; Bastin, Benjamin; Crowley, Erin; Agin, James; Goins, David; Armstrong, Marcia

2018-05-01

QIAGEN mericon Escherichia coli O157 Screen Plus and mericon E. coli Shiga toxin-producing E. coli (STEC) O-Type Pathogen Detection Assays use Real-Time PCR technology for the rapid, accurate detection of E. coli O157 and the "big six" (O26, O45, O103, O111, O121, O145) (non-O157 STEC) in select food types. Using a paired study design, the assays were compared with the U.S. Department of Agriculture, Food Safety Inspection Service Microbiology Laboratory Guidebook Chapter 5.09 reference method for the detection of E. coli O157:H7 in raw ground beef. Both mericon assays were evaluated using the manual and an automated DNA extraction method. Thirteen technicians from five laboratories located within the continental United States participated in the collaborative study. Three levels of contamination were evaluated. Statistical analysis was conducted according to the probability of detection (POD) statistical model. Results obtained for the low-inoculum level test portions produced a difference between laboratories POD (dLPOD) value with a 95% confidence interval of 0.00 (-0.12, 0.12) for the mericon E. coli O157 Screen Plus with manual and automated extraction and mericon E. coli STEC O-Type with manual extraction and -0.01 (-0.13, 0.10) for the mericon E. coli STEC O-Type with automated extraction. The dLPOD results indicate equivalence between the candidate methods and the reference method.

Topological magnetic phase in LaMnO3 (111) bilayer

NASA Astrophysics Data System (ADS)

Weng, Yakui; Huang, Xin; Yao, Yugui; Dong, Shuai

2015-11-01

Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as the Hubbard-type correlation, are expected in the (111) bilayer of perovskite-structural transition-metal oxides. Based on the first-principles calculation and tight-binding model, the electronic structure of a LaMnO3 (111) bilayer sandwiched in LaScO3 barriers has been investigated. For the ideal undistorted perovskite structure, the Fermi energy of LaMnO3 (111) bilayer just stays at the Dirac point, rendering a semimetal (graphenelike) which is also a half metal [different from graphene or the previously studied LaNiO3 (111) bilayer]. The Dirac cone can be opened by the spin-orbit coupling, giving rise to nontrivial topological bands corresponding to the (quantized) anomalous Hall effect. For the realistic orthorhombic distorted lattice, the Dirac point moves with increasing Hubbard repulsion (or equivalent Jahn-Teller distortion). Finally, a Mott gap opens, establishing a phase boundary between the Mott insulator and topological magnetic insulator. Our calculation finds that the gap opened by spin-orbit coupling is much smaller in the orthorhombic distorted lattice (˜1.7 meV) than the undistorted one (˜11 meV). Therefore, to suppress the lattice distortion can be helpful to enhance the robustness of the topological phase in perovskite (111) bilayers.

Ferromagnetism and Ru-Ru distance in SrRuO3 thin film grown on SrTiO3 (111) substrate

PubMed Central

2014-01-01

Epitaxial SrRuO3 thin films were grown on both (100) and (111) SrTiO3 substrates with atomically flat surfaces that are required to grow high-quality films of materials under debate. The following notable differences were observed in the (111)-oriented SrRuO3 films: (1) slightly different growth mode, (2) approximately 10 K higher ferromagnetic transition temperature, and (3) better conducting behavior with higher relative resistivity ratio, than (100)c-oriented SrRuO3 films. Together with the reported results on SrRuO3 thin films grown on (110) SrTiO3 substrate, the different physical properties were discussed newly in terms of the Ru-Ru nearest neighbor distance instead of the famous tolerance factor. PACS 75.70.Ak; 75.60.Ej; 81.15.Fg PMID:24393495

Surfactant Mediated Growth of Co on MgO(111)

NASA Astrophysics Data System (ADS)

Johnson-Steigelman, H. Trevor; Parihar, Somendra S.; Lyman, Paul F.

2010-03-01

Monolayer films of Co were deposited using an electrostatic electron-beam evaporator on single-crystal MgO(111)- √3 x√3 R 30^o substrates held at room temperature, with subsequent annealing of temperatures 400 C to 800 C. These films were characterized using low-energy electron diffraction (LEED), x-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and x-ray diffraction (XRD). After short anneals of 400 C, AFM, LEED, and XPS suggest that islanding has occurred at the surface. XPS and XRD indicate the presence of elemental Co. 1-2 ML films of Ag were examined as a potential surfactant to aid in the growth of smooth Co films. Despite the fact that Ag itself formed islands, it was found that the presence of Ag did have a surfactant effect upon the thin-film growth of Co on Ag/MgO(111)- √3 x√3 R 30^o. Co islands were still present, but much more smooth than islands formed without Ag. XPS and AFM suggest strongly that Ag floated to the top of these samples at temperatures above 400 ^oC.

SO2 Adsorption on CeO2(100) and CeO2(111)

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

Mullins, David R.

2016-09-13

The adsorption and reaction of sulfur dioxide, SO2, was studied on oxidized and reduced CeOX(100) and compared to previous results on CeOX(111). SO2 adsorbs on oxidized CeO2(100) as sulfite, SO32-, at 200 K and sulfite is the only adsorbate observed on the surface at any temperature. The sulfite desorbs monotonically from 200 to 700 K. The adsorption and desorption of SO2 does not result in any change in the Ce4+ oxidation state. SO2 also adsorbs as sulfite on reduced CeO1.7(100) at 200 K. There is also a small amount of elemental sulfur, S0, formed. As the sample is heated themore » sulfite decomposes into sulfide, S2-. Roughly 25 % of the adsorbed S either desorbs or diffuses into the bulk of the reduced ceria. The decomposition, and resulting formation of S2- and O2-, re-oxidize some of the Ce3+ to Ce4+. Unlike what has been observed following the adsorption and reaction of many other molecules, the adsorption and reaction of SO2 is virtually identical on CeOX(100) and CeOX(111).« less

Magnetism and electronic structure of (001)- and (111)-oriented LaTiO3 bilayers sandwiched in LaScO3 barriers

NASA Astrophysics Data System (ADS)

Weng, Yakui; Dong, Shuai

2015-05-01

In this study, the magnetism and electronic structure of LaTiO3 bilayers along both the (001) and (111) orientations are calculated using the density functional theory. The band insulator LaScO3 is chosen as the barrier layer and substrate to obtain the isolating LaTiO3 bilayer. For both the (001)- and (111)-oriented cases, LaTiO3 demonstrates the G-type antiferromagnetism as the ground state, similar to the bulk material. However, the electronic structure is significantly changed. The occupied bands of Ti are much narrower in the (111) case, giving a nearly flat band. As a result, the exchange coupling between nearest-neighbor Ti ions is reformed in these superlattices, which will affect the Néel temperature significantly.

Interface science of virtual GaN substrates on Si(111) via Sc2O3/Y2O3 buffers: Experiment and theory

NASA Astrophysics Data System (ADS)

Tarnawska, L.; Dabrowski, J.; Grzela, T.; Lehmann, M.; Niermann, T.; Paszkiewicz, R.; Storck, P.; Schroeder, T.

2013-06-01

The final film quality of GaN on foreign substrates is known to crucially depend on the initial GaN interface and nucleation characteristics. To shed light on these characteristics of recently pioneered virtual, hexagonal GaN(0001) substrates on Si(111) via step graded Sc2O3(111)/Y2O3(111) buffers, a complex GaN(0001)/Sc2O3(111) interface structure model and the initial nucleation scenario is derived from a combined experimental (reflection high energy electron diffraction and X-ray photoelectron spectroscopy) and theoretical ab initio study. It is shown that the GaN/Sc2O3 interface chemistry is determined by a N-Ga-O-Sc atomic arrangement leading to N-polar GaN films. However, the atomic GaN(0001)/Sc2O3(111) interface configuration is complex and local perturbations might be at the origin of Ga-polar inversion domains in the mainly N-polar GaN films. The initial growth of GaN on Sc2O3 is characterized by an ultrathin N-Ga-O-Sc wetting layer which carries tensile strain and relaxes with increasing thickness. Further GaN deposition results in the formation of 3D islands which fully relax before island coalescence occurs. The implications of the GaN/Sc2O3 interface configuration, the 3D nucleation growth mode, and the coalescence process of misaligned islands are discussed with respect to the defect characteristics (inversion domains, cubic inclusions, threading dislocations) of the final GaN layer.

The investigation of adsorption and dissociation of H2O on Li2O (111) by ab initio theory

NASA Astrophysics Data System (ADS)

Kong, Xianggang; Yu, You; Ma, Shenggui; Gao, Tao; Lu, Tiecheng; Xiao, Chengjian; Chen, Xiaojun; Zhang, Chuanyu

2017-06-01

The adsorption and dissociation mechanism of H2O molecule on the Li2O (111) surface have been systematically studied by using the density functional theory calculations. The parallel and vertical configurations of H2O at six different symmetry adsorption sites on the Li2O (111) surface are considered. In our calculations, it is suggested that H2O can dissociate on the perfect Li2O surface, of which the corresponding adsorption energy is 1.118 eV. And the adsorption energy decrease to be 0.241 eV when oxygen atom of H2O bonds to lithium atom of the slab. The final configurations are sensitive to the initial molecular orientation. By Bader charge analysis, the charge transfer from slab to adsorbed H2O/OH can be found due to the downward shift of lowest-unoccupied molecular orbital. We also analyze the vibrational frequencies at the Brillouin Zone centre for H2O molecule adsorbed on the stoichiometric surface. Due to the slightly different structure parameters, the calculated values of the vibrational frequencies of hydroxyl group range from 3824 to 3767 cm-1. Our results agree well with experimental results performed in FT-IR spectrum, which showed that an absorption peak of OH group appeared at 3677 cm-1 at room temperature.

Atomically Dispersed Pd–O Species on CeO 2(111) as Highly Active Sites for Low-Temperature CO Oxidation

DOE PAGES

Spezzati, Giulia; Su, Yaqiong; Hofmann, Jan P.; ...

2017-09-07

Ceria-supported Pd is a promising heterogeneous catalyst for CO oxidation relevant to environmental cleanup reactions. Pd loaded onto a nanorod form of ceria exposing predominantly (111) facets is already active at 50 °C. Here we report a combination of CO-FTIR spectroscopy and theoretical calculations that allows assigning different forms of Pd on the CeO 2(111) surface during reaction conditions. Single Pd atoms stabilized in the form of PdO and PdO 2 in a CO/O 2 atmosphere participate in a catalytic cycle involving very low activation barriers for CO oxidation. In conclusion, the presence of single Pd atoms on the Pd/CeOmore » 2-nanorod, corroborated by aberration-corrected TEM and CO-FTIR spectroscopy, is considered pivotal to its high CO oxidation activity.« less

Atomically Dispersed Pd–O Species on CeO 2(111) as Highly Active Sites for Low-Temperature CO Oxidation

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

Spezzati, Giulia; Su, Yaqiong; Hofmann, Jan P.

Ceria-supported Pd is a promising heterogeneous catalyst for CO oxidation relevant to environmental cleanup reactions. Pd loaded onto a nanorod form of ceria exposing predominantly (111) facets is already active at 50 °C. Here we report a combination of CO-FTIR spectroscopy and theoretical calculations that allows assigning different forms of Pd on the CeO 2(111) surface during reaction conditions. Single Pd atoms stabilized in the form of PdO and PdO 2 in a CO/O 2 atmosphere participate in a catalytic cycle involving very low activation barriers for CO oxidation. In conclusion, the presence of single Pd atoms on the Pd/CeOmore » 2-nanorod, corroborated by aberration-corrected TEM and CO-FTIR spectroscopy, is considered pivotal to its high CO oxidation activity.« less

Elucidation of Active Sites for the Reaction of Ethanol on TiO 2 /Au(111)

DOE PAGES

Boyle, David T.; Wilke, Jeremy A.; Palomino, Robert M.; ...

2017-03-17

Obtaining a molecular-level understanding of the reaction of alcohols with heterogeneous model catalysts is critical for improving industrial catalytic processes, such as the production of H 2 from alcohols. Gold has been shown to be an excellent oxidation catalyst once oxygen is added to it. The use of reducible oxides provides a source of oxygen on Au(111) for the reaction of ethanol, which is easily regenerated in the presence of an oxygen background. In this work, ethanol operates as a probe molecule to investigate the role of Au(111), TiO 2 nanoparticles, and TiO 2/Au interfacial surface sites on the catalyticmore » properties of TiO 2/Au(111). Ultrahigh vacuum temperature-programmed desorption (TPD) studies with ethanol/Au(111) elucidate previously unreported adsorption sites for ethanol. Ethanol molecularly adsorbs to Au terrace sites, step edges, and undercoordinated kink sites with adsorption energies of -51.7, -55.8, and -65.1 kJ/mol, respectively. In a TPD coverage study of ethanol on TiO 2/Au(111) indicates ethanol undergoes dissociative adsorption to form H*(a) and CH 3CH 2O*(a) on the inverse model catalyst surface. The desorption temperature of low coverages of ethanol from TiO2/Au(111) (Tdes ≈ 235 K) is at an intermediate temperature between the desorption temperatures from bulk Au(111) and TiO 2(110), indicating both Au and TiO 2 play a role in the adsorption of ethanol. Both low-temperature adsorption and high-temperature reactions are studied and indicate that ethanol-derived products such as acetaldehyde and ethylene desorb from TiO 2/Au(111) at ~500 K. Here, we report the identification of catalytically active sites on TiO 2/Au(111) as interfacial sites between the oxide and Au(111) surface through the use of temperature-programmed desorption and infrared reflection absorption spectroscopy.« less

Elucidation of Active Sites for the Reaction of Ethanol on TiO 2 /Au(111)

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

Boyle, David T.; Wilke, Jeremy A.; Palomino, Robert M.

Obtaining a molecular-level understanding of the reaction of alcohols with heterogeneous model catalysts is critical for improving industrial catalytic processes, such as the production of H 2 from alcohols. Gold has been shown to be an excellent oxidation catalyst once oxygen is added to it. The use of reducible oxides provides a source of oxygen on Au(111) for the reaction of ethanol, which is easily regenerated in the presence of an oxygen background. In this work, ethanol operates as a probe molecule to investigate the role of Au(111), TiO 2 nanoparticles, and TiO 2/Au interfacial surface sites on the catalyticmore » properties of TiO 2/Au(111). Ultrahigh vacuum temperature-programmed desorption (TPD) studies with ethanol/Au(111) elucidate previously unreported adsorption sites for ethanol. Ethanol molecularly adsorbs to Au terrace sites, step edges, and undercoordinated kink sites with adsorption energies of -51.7, -55.8, and -65.1 kJ/mol, respectively. In a TPD coverage study of ethanol on TiO 2/Au(111) indicates ethanol undergoes dissociative adsorption to form H*(a) and CH 3CH 2O*(a) on the inverse model catalyst surface. The desorption temperature of low coverages of ethanol from TiO2/Au(111) (Tdes ≈ 235 K) is at an intermediate temperature between the desorption temperatures from bulk Au(111) and TiO 2(110), indicating both Au and TiO 2 play a role in the adsorption of ethanol. Both low-temperature adsorption and high-temperature reactions are studied and indicate that ethanol-derived products such as acetaldehyde and ethylene desorb from TiO 2/Au(111) at ~500 K. Here, we report the identification of catalytically active sites on TiO 2/Au(111) as interfacial sites between the oxide and Au(111) surface through the use of temperature-programmed desorption and infrared reflection absorption spectroscopy.« less

DFT studies of elemental mercury oxidation mechanism by gaseous advanced oxidation method: Co-interaction with H2O2 on Fe3O4 (111) surface

NASA Astrophysics Data System (ADS)

Zhou, Changsong; Song, Zijian; Zhang, Zhiyue; Yang, Hongmin; Wang, Ben; Yu, Jie; Sun, Lushi

2017-12-01

Density functional theory calculations have been carried out for H2O2 and Hg0 co-interaction on Fe3O4 (111) surface. On the Fetet1-terminated Fe3O4 (111) surface, the most favored configurations are H2O2 decomposition and produce two OH groups, which have strong interaction with Hg atom to form an OHsbnd Hgsbnd OH intermediate. The adsorbed OHsbnd Hgsbnd OH is stable and hardly detaches from the catalyst surface due to the highly endothermic process. A large amount of electron transfer has been found from Hg to the produced OH groups and has little irreversible effect on the Fe3O4 (111) surface. On the Feoct2-terminated Fe3O4 (111) surface, the Feoct2 site is more active than Fetet1 site. H2O2 decomposition and Hg0 oxidation processes are more likely to occur due to that the Feoct2 site both contains Fe2+ and Fe3+ cations. The calculations reveal that Hg0 oxidation by the OH radical produced from H2O2 is energetically favored. Additionally, Hg0 and H2O2 co-interaction mechanism on the Fe3O4 (111) interface has been investigated on the basis of partial local density of state calculation.

Ultrathin TiO(x) films on Pt(111): a LEED, XPS, and STM investigation.

PubMed

Sedona, Francesco; Rizzi, Gian Andrea; Agnoli, Stefano; Llabrés i Xamena, Francesc X; Papageorgiou, Anthoula; Ostermann, Dieter; Sambi, Mauro; Finetti, Paola; Schierbaum, Klaus; Granozzi, Gaetano

2005-12-29

Ultrathin ordered titanium oxide films on Pt(111) surface are prepared by reactive evaporation of Ti in oxygen. By varying the Ti dose and the annealing conditions (i.e., temperature and oxygen pressure), six different long-range ordered phases are obtained. They are characterized by means of low-energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). By careful optimization of the preparative parameters, we find conditions where predominantly single phases of TiO(x), revealing distinct LEED pattern and STM images, are produced. XPS binding energy and photoelectron diffraction (XPD) data indicate that all the phases, except one (the stoichiometric rect-TiO2), are one monolayer thick and composed of a Ti-O bilayer with interfacial Ti. Atomically resolved STM images confirm that these TiO(x) phases wet the Pt surface, in contrast to rect-TiO2. This indicates their interface stabilization. At a low Ti dose (0.4 monolayer equivalents, MLE), an incommensurate kagomé-like low-density phase (k-TiO(x) phase) is observed where hexagons are sharing their vertexes. At a higher Ti dose (0.8 MLE), two denser phases are found, both characterized by a zigzag motif (z- and z'-TiO(x) phases), but with distinct rectangular unit cells. Among them, z'-TiO(x), which is obtained by annealing in ultrahigh vacuum (UHV), shows a larger unit cell. When the postannealing of the 0.8 MLE deposit is carried out at high temperatures and high oxygen partial pressures, the incommensurate nonwetting, fully oxidized rect-TiO2 is found The symmetry and lattice dimensions are almost identical with rect-VO2, observed in the system VO(x)/Pd(111). At a higher coverage (1.2 MLE), two commensurate hexagonal phases are formed, namely the w- [(square root(43) x square root(43)) R 7.6 degrees] and w'-TiO(x) phase [(7 x 7) R 21.8 degrees]. They show wagon-wheel-like structures and have slightly different lattice dimensions. Larger Ti deposits

Manipulating the polar mismatch at the LaNi O 3 / SrTi O 3 (111) interface

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

Saghayezhian, M.; Wang, Zhen; Guo, Hangwen

2017-04-20

Heteroepitaxial growth of transition-metal oxide films on the open (111) surface of SrTi O 3 results in significant restructuring due to the polar mismatch. Monitoring the structure and composition on an atomic scale of LaNi O 3 / SrTi O 3 (111) interface as a function of processing conditions has enabled the avoidance of the expected polar catastrophe. Using atomically resolved transmission electron microscopy and spectroscopy as well as low-energy electron diffraction, the structure of the thin film, from interface to the surface, has been studied. Here, we show that the proper processing can lead to a structure that ismore » ordered, coherent with the substrate without intermediate structural phase. Using angle-resolved x-ray photoemission spectroscopy we show that the oxygen content of thin films increases with the film thickness, which indicates that the polar mismatch is avoided by the presence of oxygen vacancies.« less

Selected Growth of Cubic and Hexagonal GaN Epitaxial Films on Polar MgO(111)

NASA Astrophysics Data System (ADS)

Lazarov, V. K.; Zimmerman, J.; Cheung, S. H.; Li, L.; Weinert, M.; Gajdardziska-Josifovska, M.

2005-06-01

Selected molecular beam epitaxy of zinc blende (111) or wurtzite (0001) GaN films on polar MgO(111) is achieved depending on whether N or Ga is deposited first. The cubic stacking is enabled by nitrogen-induced polar surface stabilization, which yields a metallic MgO(111)-(1×1)-ON surface. High-resolution transmission electron microscopy and density functional theory studies indicate that the atomically abrupt semiconducting GaN(111)/MgO(111) interface has a Mg-O-N-Ga stacking, where the N atom is bonded to O at a top site. This specific atomic arrangement at the interface allows the cubic stacking to more effectively screen the substrate and film electric dipole moment than the hexagonal stacking, thus stabilizing the zinc blende phase even though the wurtzite phase is the ground state in the bulk.

Complete genome sequences of two Escherichia coli O145:H28 outbreak strains of food origin

USDA-ARS?s Scientific Manuscript database

Although serotype O157:H7 is the predominant enterohemorrhagic Escherichia coli (EHEC), outbreaks of non-O157 EHEC that cause severe foodborne illness, including hemolytic uremic syndrome have increased worldwide. O145 is recognized as one of the six non-O157 serotypes that are most frequently assoc...

Detection of non-O157 Shiga toxin-producing Escherichia coli in 375 grams of beef trim enrichments across multiple commercial PCR detection platforms.

PubMed

Wheeler, Sarita Raengpradub; Heard, Preciaus; Dufour, Christophe; Thevenot-Sergentet, Delphine; Loukiadis, Estelle; Flowers, Russell S; McMahon, Wendy

2015-01-01

Although serotype O157:H7 remains the pathogenic Shiga toxin-producing Escherichia coli (STEC) of primary concern worldwide, some focus in the United States has shifted to six particular non-O157 STEC serogroups (O26, O45, O103, O111, O121, and O145). Some of these serogroups have also emerged as concerns elsewhere around the world, including Europe. The objective of this work was to compare commercial detection methods with the U.S. Department of Agriculture (USDA) reference method for detection of non-O157 STEC in 375 g of beef trim using a limit of detection study design. Overall, the commercial platforms performed well, showing similar levels of sensitivity for detection of presumptive positives for O45, O26, O103, and O121 (PCR screen results only). For O111, one method that utilizes an integrated immunomagnetic separation and PCR approach was more sensitive than a PCR-only screen approach. Additionally, one commercial method showed more presumptive and confirmed positives overall. Use of an immunomagnetic separation tool, such as antibody-coated beads, aided considerably with the confirmation procedures and is an important step when confirming suspect samples. A secondary goal of this study was to evaluate isolation and International Organization for Standardization confirmation protocols used in Europe compared with strategies provided by the USDA Microbiology Laboratory Guidebook (MLG). Generally, results from the USDA confirmation plates (modified Rainbow agar) were better than the European Union confirmation plates (MacConkey agar with or without rhamnose). In summary, detection of non-O157 STEC in 375 g of beef trim can be performed by any of the three methods on the market evaluated in the study.

Hyperspectral imaging for detection of non-O157 Shiga-toxin producing Escherichia coli (STEC) serogroups on spread plates of mixed cultures

NASA Astrophysics Data System (ADS)

Yoon, Seung Chul; Windham, William R.; Ladely, Scott; Heitschmidt, Gerald W.; Lawrence, Kurt C.; Park, Bosoon; Narang, Neelam; Cray, William C.

2012-05-01

We investigated the feasibility of visible and near-infrared (VNIR) hyperspectral imaging for rapid presumptive-positive screening of six representative non-O157 Shiga-toxin producing Escherichia coli (STEC) serogroups (O26, O45, O103, O111, O121, and O145) on spread plates of mixed cultures. Although the traditional culture method is still the "gold standard" for presumptive-positive pathogen screening, it is time-consuming, labor-intensive, not effective in testing large amount of food samples, and cannot completely prevent unwanted background microflora from growing together with target microorganisms on agar media. A previous study was performed using the data obtained from pure cultures individually inoculated on spot and/or spread plates in order to develop multivariate classification models differentiating each colony of the six non-O157 STEC serogroups and to optimize the models in terms of parameters. This study dealt with the validation of the trained and optimized models with a test set of new independent samples obtained from colonies on spread plates of mixed cultures. A new validation protocol appropriate to a hyperspectral imaging study for mixed cultures was developed. One imaging experiment with colonies obtained from two serial dilutions was performed. A total of six agar plates were prepared, where O45, O111 and O121 serogroups were inoculated into all six plates and each of O45, O103 and O145 serogroups was added into the mixture of the three common bacterial cultures. The number of colonies grown after 24-h incubation was 331 and the number of pixels associated with the grown colonies was 16,379. The best model found from this validation study was based on pre-processing with standard normal variate and detrending (SNVD), first derivative, spectral smoothing, and k-nearest neighbor classification (kNN, k=3) of scores in the principal component subspace spanned by 6 principal components. The independent testing results showed 95% overall

Thermal tolerance characteristics of non-O157 Shiga toxigenic strains of Escherichia coli (STEC) in a beef broth model system are similar to those of O157:H7 STEC.

PubMed

Vasan, Akhila; Leong, Wan Mei; Ingham, Steve C; Ingham, Barbara H

2013-07-01

The non-O157 Shiga toxigenic Escherichia coli (STEC) serogroups most commonly associated with illness are O26, O45, O103, O111, O121, and O145. In the United States, these serogroups are considered adulterants in raw nonintact beef. To begin to understand the behavior of these pathogens in meat systems, we compared the thermal tolerance of acid-adapted cells of non-O157 STEC and O157:H7 STEC in a beef-derived broth. D58°C-values were determined for at least three strains per serogroup, and D54.6°C-values and D63.6°C-values were determined for one strain per serogroup. Each strain was grown to stationary phase in brain heart infusion broth (BHIB; pH 7.0) and inoculated into prewarmed BHIB in a shaking water bath for thermotolerance experiments at 54.6, 58.0, or 63.6°C (three trials per strain). Samples were heated for up to 160 min at 54.6°C, 3 min at 58.0°C, or 45 s at 63.6°C, with periodic sampling followed by rapid cooling and plating on modified Levine's eosin methylene blue agar. For each strain and temperature, the log CFU per milliliter was plotted versus time, and D-values were determined. Across all strains, the least and most heat tolerant STEC serogroups at 58°C were O145 and O157, respectively. D58°C-values in BHIB ranged from 0.44 min for an O145 strain to 1.42 min for an O157:H7 strain. D58°C-values for O157 STEC strains were significantly higher than those for at least one strain in each of the non-O157 STEC serogroups (P < 0.05) except for serogroup O103. At 54.6°C, the most heat-resistant STEC strain belonged to serogroup O103 and was significantly more heat tolerant than the O157:H7 strains (P < 0.05). Grouping the strains, there were no significant differences in heat tolerance between O157 and non-O157 STEC at 63.6°C (P ≥ 0.05). The z-values for non-O157 STEC strains were comparable to those for O157:H7 STEC strains (P ≥ 0.05), ranging from 4.10 to 5.21°C. These results suggest that thermal processing interventions that target

Further development of sample preparation and detection methods for O157 and the top 6 non-O157 STEC serogroups in cattle feces.

PubMed

Conrad, Cheyenne C; Stanford, Kim; McAllister, Tim A; Thomas, James; Reuter, Tim

2014-10-01

Shiga toxin-producing Escherichia coli (STEC) are food-borne pathogens responsible for outbreaks of human infections worldwide. Ruminant livestock harbor STEC in their intestinal tract, and through fecal contamination possess the potential to compromise the safety of food and water. As a human health safety risk, STEC detection methods on beef carcasses and trim are needed as mandated by the USDA-FSIS. In order to monitor STEC prior to harvest and human consumption, our goal was to evaluate and/or improve detection of seven STEC serogroups in cattle feces. In comparison to traditional approaches, sample processing methods in bovine feces were evaluated using a multi-factorial Latin square design which involved freezing or freeze drying feces. Autoclaved versus non-autoclaved feces were spiked with O26:H11 or O157:H7 serotypes in various dilutions and enriched for up to 6h. Each hour, enriched aliquots were compared using traditional culture methods and quantitative polymerase chain reaction (qPCR). Furthermore, a 7-serogroup multiplex PCR (mPCR) was developed to detect O26, O45, O103, O111, O121, O145 and O157 serogroups simultaneously. The diagnostic sensitivity of our mPCR assay following 6h enrichment was superior (10CFU/g across all serogroups) compared to a previously established PCR assay (10CFU/g for O26, and O103; ≥10(4)CFU/g for all other serogroups). Obtaining viable isolates appeared to be limited by the efficiency of current immunomagnetic separation (IMS) methods, which ranged from 20 to 100% effectiveness at retrieving colonies depending on serogroup. After IMS, 70 putative STEC isolates were screened for Shiga toxin and attachment genes by mPCR. Sixty-five isolates contained one or both Shiga toxin genes. Copyright © 2014 Elsevier B.V. All rights reserved.

[Identification of resistance and susceptibility to cefotaxime in EHEC O121 strains isolated from an outbreak at two nurseries].

PubMed

Kikuchi, Koji; Ueno, Hiroyuki; Tomari, Kentaro; Kobori, Sumie; Kaetsu, Akihiko; Miyazaki, Motonobu

2014-07-01

A Shiga toxin 2 producing enterohemorrhagic Escherichia coli (EHEC) O121: H19 was isolated from a 2-year-old child who attending a nursery. An EHEC O121 outbreak in two nurseries (A, B), involving a total of 17 infected persons including 12 children, was revealed through contact investigation. The symptoms of all infected persons were almost all mild, and no one developed the hemolytic uremic syndrome. The combination use of desoxycholate-hydrogen sulfide-lactose (DHL) and CHROMagar STEC as selective isolation media was employed for efficient fecal examination. Nursery A and nursery B were combined as one group after the outbreak in nursery A was confirmed. As a result, EHEC O121 infected persons were also detected in children from nursery B. The 17 strains of EHEC O121 obtained from the total population showed almost the same pulsed-gel electrophoresis (PFGE) pattern, suggesting that these strains were very closely related. However, 13 of these 17 strains obtained from nursery A were susceptible to cefotaxime, whereas the remaining 4 strains obtained from nursery B showed cefotaxime resistance. A cefotaxime resistant Escherichia coli (E. coli) O86 strain was isolated in the stool specimen from a child who had been infected with the cefotaxime resistant EHEC O121. Both the cefotaxime resistant EHEC O121 and E. coli O86 had the same drug resistant gene (bla(CTX-M-1) group). The child was the index case of these 4 later cases and had received no antibiotics therapy prior to the laboratory examination. These findings suggested the possibility that an EHEC O121 strain had acquired a drug resistant gene from E. coli O86 in the digestive tract of the child.

Formation of (111) orientation-controlled ferroelectric orthorhombic HfO{sub 2} thin films from solid phase via annealing

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

Mimura, Takanori; Katayama, Kiliha; Shimizu, Takao

2016-08-01

0.07YO{sub 1.5}-0.93HfO{sub 2} (YHO7) films were prepared on various substrates by pulse laser deposition at room temperature and subsequent heat treatment to enable a solid phase reaction. (111)-oriented 10 wt. % Sn-doped In{sub 2}O{sub 3}(ITO)//(111) yttria-stabilized zirconia, (111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si substrates, and (111)ITO/(111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si substrates were employed for film growth. In this study, X-ray diffraction measurements including θ–2θ measurements, reciprocal space mappings, and pole figure measurements were used to study the films. The film on (111)ITO//(111)yttria-stabilized zirconia was an (111)-orientated epitaxial film with ferroelectric orthorhombic phase; the film on (111)ITO/(111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si was an (111)-oriented uniaxial textured film with ferroelectricmore » orthorhombic phase; and no preferred orientation was observed for the film on the (111)Pt/TiO{sub x}/SiO{sub 2}/(001)Si substrate, which does not contain ITO. Polarization–hysteresis measurements confirmed that the films on ITO covered substrates had saturated ferroelectric hysteresis loops. A remanent polarization (P{sub r}) of 9.6 and 10.8 μC/cm{sup 2} and coercive fields (E{sub c}) of 1.9 and 2.0 MV/cm were obtained for the (111)-oriented epitaxial and uniaxial textured YHO7 films, respectively. These results demonstrate that the (111)-oriented ITO bottom electrodes play a key role in controlling the orientation and ferroelectricity of the phase formation of the solid films deposited at room temperature.« less

The Interaction of Carbon Monoxide with Rhodium on Potassium-Modified CeO 2(111)

DOE PAGES

Mullins, David R.

2016-02-03

The adsorption and reactions of CO adsorbed on Rh particles deposited on K-covered CeO 2(111) were studied by temperature programmed desorption and photoelectron spectroscopy. K deposited on CeO 2(111) forms a KO X over-layer by extracting O from the ceria and partially reducing some of the Ce 4+ to Ce 3+. CO does not adsorb on the KO X / CeO 2-X(111) surface in the absence of Rh particles. CO adsorbed on Rh / K / CeO 2(111) adsorbs molecularly on the Rh at 200 K. As the surface is heated the CO spills-over and reacts with the KOX tomore » form carbonate. The carbonate decomposes at elevated temperature to produce CO and CO 2. The carbonate stabilizes the KO X so that K desorbs at a higher temperature than it would in the absence of CO. When the Rh and K deposition are reversed so that K is deposited on both the Rh and the CeO 2(111), CO adsorbs as CO 2- at 200 K. The CO 2- decomposes below 350 K to produce gas phase CO and adsorbed CO3 2- and CO. The CO is stabilized by the K on the Rh and desorbs above 540 K. The carbonate decomposes into gas phase CO and CO 2.« less

Structure and magnetic properties of spinel-perovskite nanocomposite thin films on SrTiO3 (111) substrates

NASA Astrophysics Data System (ADS)

Kim, Dong Hun; Yang, Junho; Kim, Min Seok; Kim, Tae Cheol

2016-09-01

Epitaxial CoFe2O4-BiFeO3 nanocomposite thin films were synthesized on perovskite structured SrTiO3 (001) and (111) substrates by combinatorial pulsed laser deposition and characterized using scanning electron microscopy, x-ray diffraction, and vibrating sample magnetometer. Triangular BiFeO3 nanopillars were formed in a CoFe2O4 matrix on (111) oriented SrTiO3 substrates, while CoFe2O4 nanopillars with rectangular or square top surfaces grew in a BiFeO3 matrix on (001) substrates. The magnetic hysteresis loops of nanocomposites on (111) oriented SrTiO3 substrates showed isotropic properties due to the strain relaxation while those of films on SrTiO3 (001) substrates exhibited a strong out-of-plane anisotropy originated from shape and strain effects.

An environmental shiga toxin-producing Escherichia coli O145 clonal population exhibits high-level phenotypic variation that includes virulence traits

USDA-ARS?s Scientific Manuscript database

Shiga toxin-producing Escherichia coli (STEC) serotype O145 is one of the major non-O157 serotypes associated with severe human disease. Here we examined the genetic diversity, population structure, virulence potential, and antibiotic resistance profile of environmental O145 strains isolated from a ...

Experimental and DFT studies of gold nanoparticles supported on MgO(111) nano-sheets and their catalytic activity.

PubMed

Li, Zhi; Ciobanu, Cristian V; Hu, Juncheng; Palomares-Báez, Juan-Pedro; Rodríguez-López, José-Luis; Richards, Ryan

2011-02-21

A wet chemical preparation of MgO with the (111) facet as the primary surface has recently been reported and with alternating layers of oxygen anions and magnesium cations, this material shows unique chemical and physical properties. The potential to utilize the MgO(111) surface for the immobilization of metal particles is intriguing because the surface itself offers a very different environment for the metal particle with an all oxygen interface, as opposed to the typical (100) facet that possesses alternating oxygen anion and magnesium cation sites on the surface. Gold nanoparticles have demonstrated a broad range of interesting catalytic properties, but are often susceptible to aggregation at high temperatures and are very sensitive to substrate effects. Here, we investigate gold-supported on MgO(111) nanosheets as a catalyst system for the aerobic oxidation of benzyl alcohol. Gold nanoparticles deposited on MgO(111) show an increased level of activity in the solvent-free benzyl alcohol aerobic oxidation as compared to gold nanoparticles deposited on a typical MgO aerogel. TEM studies reveal that the gold nanoparticles have a hemispherical shape while sitting on the main surface of MgO(111) nanosheets, with a large Au-MgO interface. Given that the gold nanoparticles deposited on the two types of MgO have similar size, and that the two types of unmodified MgO show almost the same activities in the blank reaction, we infer that the high activity of Au/MgO(111) is due to the properties of the (111) support and/or those of the gold-support interface. To understand the binding of Au on low-index MgO surfaces and the charge distribution at the surface of the support, we have performed density functional theory (DFT) calculations on all low-index MgO substrates (with and without gold), using a model Au(10) cluster. Due to similar lattice constants of Au(111) and MgO(111) planes, the Au cluster retains its structural integrity and binds strongly on MgO(111) with either

Fecal shedding of non-O157 serogroups of Shiga toxin-producing Escherichia coli in feedlot cattle vaccinated with an Escherichia coli O157:H7 SRP vaccine or fed a Lactobacillus-based direct-fed microbial.

PubMed

Cernicchiaro, N; Renter, D G; Cull, C A; Paddock, Z D; Shi, X; Nagaraja, T G

2014-05-01

The objectives of this study were to determine whether fecal shedding of non-O157 Shiga toxin-producing Escherichia coli (STEC) in feedlot cattle was affected by the use of an E. coli O157:H7 vaccine or a direct-fed microbial (DFM) and whether the shedding of a particular non-O157 STEC serogroup within feces was associated with shedding of O157 or other non-O157 STEC serogroups. A total of 17,148 cattle in 40 pens were randomized to receive one, both, or neither (control) of the two interventions: a vaccine based on the siderophore receptor and porin proteins (E. coli SRP vaccine, two doses) and a DFM product (low-dose Bovamine). Fresh fecal samples (30 samples per pen) were collected weekly from pen floors for four consecutive weeks beginning approximately 56 days after study allocation. DNA extracted from enriched samples was tested for STEC O157 and non-O157 serogroups O26, O45, O103, O111, O121, and O145 and for four major virulence genes (stx1, stx2, eae, and ehxA) using an 11-gene multiplex PCR assay. Generalized linear mixed models were used to analyze the effects of treatments and make within-sample comparisons of the presence of O-serogroup-specific genes. Results of cumulative prevalence measures indicated that O157 (14.6%), O26 (10.5%), and O103 (10.3%) were the most prevalent STEC O serogroups. However, the vaccine, DFM, or both had no significant effect (P > 0.05) on fecal prevalence of the six non-O157 STEC serogroups in feedlot cattle. Within-sample comparisons of the presence of STEC serogroup-specific genes indicated that fecal shedding of E. coli O157 in cattle was associated with an increased probability (P < 0.05) of fecal shedding of STEC O26, O45, O103, and O121. Our study revealed that neither the E. coli O157:H7 vaccine, which reduced STEC O157 fecal shedding, nor the DFM significantly affected fecal shedding of non-O157 STEC serogroups, despite the fact that the most prevalent non-O157 STEC serogroups tended to occur concurrently with O157

Porous Ni0.1Mn0.9O1.45 microellipsoids as high-performance anode electrocatalyst for microbial fuel cells.

PubMed

Zeng, Lizhen; Zhang, Wenguang; Xia, Pan; Tu, Wenqiang; Ye, Changchun; He, Miao

2018-04-15

A novel bi-component composite of porous self-assembled micro-/nanostructured Ni 0.1 Mn 0.9 O 1.45 microellipsoids as high-performance anode electrocatalyst for microbial fuel cells (MFCs) is successfully synthesized via a simple coprecipitation reaction in microemulsion and calcination method in air atmosphere. The morphology and structural characterization indicate that the as-fabricated Ni 0.1 Mn 0.9 O 1.45 product is consist of Mn 2 O 3 and NiMn 2 O 4 (n(Mn 2 O 3) : n(NiMn 2 O 4 ) = 0.35: 0.1) and has a porous microellipsoidal morphology. The microellipsoids are compose of numerous layered micro-/nanostructured blocks and the special porous microellipsoids structure of Ni 0.1 Mn 0.9 O 1.45 offers a large specific surface area for bacteria adhesion. The porous Ni 0.1 Mn 0.9 O 1.45 microellipsoids as anode electrocatalyst for MFCs exhibits excellent electrocatalytic activity to promote the extracellular electron transfer (EET) between the anode and bacteria, hence improves the performance of MFC. The MFC equipped with Ni 0.1 Mn 0.9 O 1.45 /CF anode achieves a maximum power density of 1.39 ± 0.02Wm -2 , is significantly higher than that of commercial carbon felt anode. This work proposes a new method for the synthesis of high-performance and environmentally friendly anode electrocatalyst for MFCs. Copyright © 2017 Elsevier B.V. All rights reserved.

Identification of O-rich structures on platinum(111)-supported ultrathin iron oxide films

DOE PAGES

Merte, Lindsay R.; Bai, Yunhai; Zeuthen, Helene; ...

2016-01-06

Using high-resolution scanning tunneling microscopy (STM) we have studied the oxidation of ultrathin FeO films grown on Pt(111). At the initial stage of the FeO film oxidation by atomic oxygen exposure, we identified three distinct types of line defects, all of which form boundaries between FeO domains of opposite orientation. Two types of line defects appearing bright ( type-i) and dark ( type-ii) in the STM images at typical scanning parameters are “metallic”, whereas the third line defect exhibits nonmetallic behavior ( type-iii). Atomic-scale structure models of these line defects are proposed, with type-i defects exhibiting 4-fold coordinated Fe atoms,more » type-ii exhibiting 2-fold coordinated O atoms, and type-iii exhibiting tetrahedrally-coordinated Fe atoms. In addition, FeO 2 trilayer islands are formed upon oxidation, which appear at FCC-type domains of the moiré structure. At high scanning bias, distinct protrusions on the trilayer islands are observed over surface O ions, which are assigned to H adatoms. The experimental data are supported by density functional theory (DFT) calculations, in which bare and hydroxylated FeO 2 trilayer islands are compared. Finally, we compare the formation of O-rich features on continuous FeO films using atomic oxygen with the oxidation of Pt(111)-supported FeO islands accomplished by O 2 exposure.« less

Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111)

NASA Astrophysics Data System (ADS)

Schroeder, T.; Lee, T.-L.; Libralesso, L.; Joumard, I.; Zegenhagen, J.; Zaumseil, P.; Wenger, C.; Lupina, G.; Lippert, G.; Dabrowski, J.; Müssig, H.-J.

2005-04-01

The structure of ultrathin epitaxial Pr2O3 films on Si(111) was studied by synchrotron radiation-grazing incidence x-ray diffraction. The oxide film grows as hexagonal Pr2O3 phase with its (0001) plane attached to the Si(111) substrate. The hexagonal (0001) Pr2O3 plane matches the in-plane symmetry of the hexagonal Si(111) surface unit cell by aligning the ⟨101¯0⟩Pr2O3 along the ⟨112¯⟩ Si directions. The small lattice mismatch of 0.5% results in the growth of pseudomorphic oxide films of high crystalline quality with an average domain size of about 50 nm. The critical thickness tc for pseudomorphic growth amounts to 3.0±0.5nm. The relaxation of the oxide film from pseudomorphism to bulk behavior beyond tc causes the introduction of misfit dislocations, the formation of an in-plane small angle mosaicity structure, and the occurence of a phase transition towards a (111) oriented cubic Pr2O3 film structure. The observed phase transition highlights the influence of the epitaxial interface energy on the stability of Pr2O3 phases on Si(111). A mechanism is proposed which transforms the hexagonal (0001) into the cubic (111) Pr2O3 epilayer structure by rearranging the oxygen network but leaving the Pr sublattice almost unmodified.

Probing specific oxides as potential supports for metal/oxide model catalysts: MgO(111) polar film

NASA Astrophysics Data System (ADS)

Grigorkina, G. S.; Ramonova, A. G.; Kibizov, D. D.; Kozyrev, E. N.; Zaalishvili, V. B.; Fukutani, K.; Magkoev, T. T.

2017-05-01

The growth of thermally evaporated magnesium oxide thin film on Mo(110) substrate in ultra-high vacuum was studied by means of Auger electron spectroscopy (AES), low-energy electron diffraction (LEED) and work function (WF) measurements. It is shown that at a growth rate of c.a. 0.1 monolayer per minute and the substrate temperature of 600 K the film acquires the MgO(111) structure. This structure begins to form at two monolayers and holds up to six monolayers. At higher thickness the film disorders due to weakening of the ordering effect of the isosymmetric Mo(110) support. Adsorption of CO and H2 on the formed MgO(111) film cooled down to 90 K was studied by means of ultraviolet photoelectron spectroscopy (UPS) and reflection absorption infrared spectroscopy (RAIRS) and compared with in-situ obtained results for CO on Pt(111). Comparison of UPS data of CO on MgO(111) and Pt(111) in combination with RAIRS results reveals quite different bonding mechanisms on the metal and the oxide supports. The main feature of CO on MgO(111) is quite high intensity of CO stretch vibration, considerably exceeding that on amorphous MgO, and comparable to that of CO on Pt(111). This is presumably due to the electrostatic effect of the uncompensated microscopic dipole moment of ultrathin MgO(111) film on the enhancing of CO dynamical dipole moment. Adsorption of H2 dramatically reduces the CO stretch intensity as a possible result of removing of dipole moment of MgO(111) surface by hydrogen and (CO+H2) interaction.

Synthesis of BiFeO{sub 3} thin films on single-terminated Nb : SrTiO{sub 3} (111) substrates by intermittent microwave assisted hydrothermal method

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

Velasco-Davalos, Ivan; Ambriz-Vargas, Fabian; Kolhatkar, Gitanjali

We report on a simple and fast procedure to create arrays of atomically flat terraces on single crystal SrTiO{sub 3} (111) substrates and the deposition of ferroelectric BiFeO{sub 3} thin films on such single-terminated surfaces. A microwave-assisted hydrothermal method in deionized water and ammonia solution selectively removes either (SrO{sub 3}){sup 4−} or Ti{sup 4+} layers to ensure the same chemical termination on all terraces. Measured step heights of 0.225 nm (d{sub 111}) and uniform contrast in the phase image of the terraces confirm the single termination in pure and Nb doped SrTiO{sub 3} single crystal substrates. Multiferroic BiFeO{sub 3} thinmore » films were then deposited by the same microwave assisted hydrothermal process on Nb : SrTiO{sub 3} (111) substrates. Bi(NO{sub 3}){sub 3} and Fe(NO{sub 3}){sub 3} along with KOH served as the precursors solution. Ferroelectric behavior of the BiFeO{sub 3} films on Nb : SrTiO{sub 3} (100) substrates was verified by piezoresponse force microscopy.« less

Calcinaksite, KNaCa(Si4O10) H2O, a new mineral from the Eifel volcanic area, Germany

NASA Astrophysics Data System (ADS)

Chukanov, Nikita V.; Aksenov, Sergey M.; Rastsvetaeva, Ramiza K.; Blass, Günter; Varlamov, Dmitry A.; Pekov, Igor V.; Belakovskiy, Dmitry I.; Gurzhiy, Vladislav V.

2015-08-01

The new mineral calcinaksite, ideally KNaCa(Si4O10) · H2O, the first hydrous and Ca-dominant member of the litidionite group, is found in a xenolith of metamorphosed carbonate-rich rock from the southern lava flow of the Bellerberg volcano, Eastern Eifel region, Rheinland-Pfalz, Germany. It is associated with wollastonite, gehlenite, brownmillerite, Ca2SiO4 (larnite or calcio-olivine), quartz, aragonite, calcite, jennite, tobermorite and ettringite. Calcinaksite occurs as clusters of colourless to light-grey subhedral prismatic crystals. The mineral is brittle, with Mohs' hardness of 5; Dmeas is 2.62(2) g/cm3 and Dcalc is 2.623 g/cm3. The IR spectrum shows the presence of H2O molecules forming three different H-bonds. Calcinaksite is optically biaxial (+), α = 1.542(2), β = 1.550(2), γ = 1.565(3), 2 V meas = 75(10). The chemical composition (electron-microprobe data, H2O determined by the Alimarin method, wt%) is: Na2O 6.69, K2O 12.01, CaO 15.04, FeO 0.59, SiO2 61.46, H2O 4.9, total 100.69. The empirical formula is H2.11 K0.99Na0.84Ca1.04Fe0.03Si3.98O11. The crystal structure was solved and refined to R 1 = 0.053, wR 2 = 0.075 based upon 3057 reflections having I > 3σ( I). Calcinaksite is triclinic, space group P , a = 7.021(2), b = 8.250(3), c = 10.145(2) Å. α = 102.23(2)°, β = 100.34(2)°, γ = 115.09(3)°, V = 495.4(3) Å3, Z = 2. The strongest reflections of the X-ray powder pattern [ d, Å ( I,%) ( hkl)] are: 3.431 (70) (-121, -211, -210, 012, 0-22), 3.300 (67) (-031), 3.173 (95) (-103, -201, -220, 003, 111), 3.060 (100) (-212, 2-11, -221, 200, -1-13, 021, -202), 2.851 (83) (0-23, -122, 1-13, 1-31), 2.664 (62) (1-23, -222, 201).

Structural and magnetic properties of nanostructured composites (SrFe12O19)x(CaCu3Ti4O12)1-x

NASA Astrophysics Data System (ADS)

Gavrilova, T. P.; Deeva, J. A.; Yatsyk, I. V.; Yagfarova, A. R.; Gilmutdinov, I. F.; Lyadov, N. M.; Milovich, F. O.; Chupakhina, T. I.; Eremina, R. M.

2018-05-01

(SrFe12O19)x(CaCu3Ti4O12)1-x (x = 0.01, 0.03, 0.07, 0.1) composites were synthesized using a solid state method, while the pre-synthesized strontium hexaferrite SrFe12O19 (SFO) was added to the stoichiometric amount of CaO, CuO and TiO oxides to form the CaCu3Ti4O12 (CCTO) structure around SFO microinclusions. The structural and microstructural properties of obtained composites were studied by X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The magnetic properties were studied by electron spin resonance and magnetometry methods. Based on all experimental data we can conclude, that SFOxCCTO1-x nanostructured composites were formed only for concentrations x = 0.03 and x = 0.07, where SFO nanoinclusions are inside CCTO matrix, that leads to the strong mutual influence of the magnetic properties of both component.

Domain matched epitaxial growth of (111) Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} thin films on (0001) Al{sub 2}O{sub 3} with ZnO buffer layer

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

Krishnaprasad, P. S., E-mail: pskrishnaprasu@gmail.com, E-mail: mkj@cusat.ac.in; Jayaraj, M. K., E-mail: pskrishnaprasu@gmail.com, E-mail: mkj@cusat.ac.in; Antony, Aldrin

2015-03-28

Epitaxial (111) Ba{sub 0.5}Sr{sub 0.5}TiO{sub 3} (BST) thin films have been grown by pulsed laser deposition on (0001) Al{sub 2}O{sub 3} substrate with ZnO as buffer layer. The x-ray ω-2θ, Φ-scan and reciprocal space mapping indicate epitaxial nature of BST thin films. The domain matched epitaxial growth of BST thin films over ZnO buffer layer was confirmed using Fourier filtered high resolution transmission electron microscope images of the film-buffer interface. The incorporation of ZnO buffer layer effectively suppressed the lattice mismatch and promoted domain matched epitaxial growth of BST thin films. Coplanar inter digital capacitors fabricated on epitaxial (111) BSTmore » thin films show significantly improved tunable performance over polycrystalline thin films.« less

Hyperfine induced transition probabilities from 4{f}^{14}5s5p{}^{3}{{\\rm{P}}}_{0,2}^{o} states in Sm-like ions

NASA Astrophysics Data System (ADS)

Zhou, Fuyang; Li, Jiguang; Qu, Yizhi; Wang, Jianguo

2017-11-01

The hyperfine induced 4{f}145s5p{}3{{{P}}}0,2o-4{f}145{s}2{}1{{{S}}}0 transition probabilities for highly charged Sm-like ions are calculated within the framework of the multiconfiguration Dirac-Hartree-Fock method. Electron correlation, the Breit interaction and quantum electrodynamical effects are taken into account. For ions ranging from Z = 79 to Z=94,4{f}145s5p{}3{{{P}}}0o is the first excited state, and the hyperfine induced transition (HIT) is a dominant decay channel. For the 4{f}145s5p{}3{{{P}}}2o state, the HIT rates of Sm-like ions with Z=82-94 are reported as well as the magnetic dipole (M1) {}3{{{P}}}2o-{}3{{{P}}}1o, the electric quadrupole (E2) {}3{{{P}}}2o-{}3{{{P}}}0,1o, and the magnetic quadrupole (M2) {}3{{{P}}}2o-{}1{{{S}}}0 transition probabilities. It is found that M1 transition from the 4{f}145s5p{}3{{{P}}}2o state is the most important decay channel in this range on Z≥slant 82.

Structural investigation of (111) oriented (BiFeO3)(1-x)Λ/(LaFeO3)xΛ superlattices by X-ray diffraction and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Belhadi, J.; Yousfi, S.; Bouyanfif, H.; El Marssi, M.

2018-04-01

(BiFeO3)(1-x)Λ/(LaFeO3)xΛ superlattices (SLs) with varying x have been grown by pulsed laser deposition on (111) oriented SrTiO3 substrates. In order to obtain good epitaxy and flat samples, a conducting SrRuO3 buffer has been deposited prior to the superlattices to screen the polar mismatch for such (111) SrTiO3 orientation. X-ray diffraction reciprocal space mapping on a different family of planes was collected and evidenced a room temperature structural change at x = 0.5 from a rhombohedral/monoclinic structure for rich BiFeO3 to an orthorhombic symmetry for rich LaFeO3. This symmetry change has been confirmed by Raman spectroscopy and demonstrates the different phase stability compared to similar SLs grown on (100) SrTiO3. The strongly anisotropic strain and oxygen octahedral rotation/tilt system compatibility at the interfaces probably explain the orientation dependence of the phase stability in such superlattices.

Seasonal prevalence of potentially positive non-O157 Shiga toxin-producing Escherichia coli (STEC) bovine hides and carcasses in Costa Rica.

PubMed

Chaves, Byron D; Echeverry, Alejandro; García, Lyda G; Brashears, M Todd; Miller, Markus F; Brashears, Mindy M

2015-12-01

The prevalence of potentially positive Shiga toxin-producing Escherichia coli (STEC) bovine hides and carcasses in three abattoirs in Costa Rica was estimated. Two export facilities (A and B) and one non-export establishment (C) were visited during the dry and rainy seasons of 2013. Swabs of hides pre-eviscerated and treated (180-220 peroxyacetic acid spray) carcasses were tested for the potential presence of STEC serogroups O26, O45, O103, O111, O121, and O145. The prevalence on hides during the rainy season was 86.7, 96.7 and 96.7% for facilities A, B, and C, respectively. During the dry season, the prevalence on hides was significantly lower in plants A and B (40% and 26.7%, respectively), but was marginally associated with the season in plant C (76.7%, P=0.0523). The prevalence of non-O157 STEC markers on treated carcasses was low (0 to 3.3%), suggesting that all plants were effective in minimizing the target non-O157 STEC in beef destined for export and for domestic consumption. Copyright © 2015 Elsevier Ltd. All rights reserved.

Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO 2 (111) surfaces

DOE PAGES

Sanghavi, Shail; Wang, Weina; Nandasiri, Manjula I.; ...

2016-05-12

We studied the interactions between the carboxylate anchoring group from trimethylacetic acid (TMAA) and CeO 2(111) surfaces as a function of oxygen stoichiometry using in situ X-ray photoelectron spectroscopy (XPS). The stoichiometric CeO 2(111) surface was obtained by annealing the thin film under 2.0 × 10 –5 Torr of oxygen at ~550 °C for 30 min. In order to reduce the CeO 2(111) surface, the thin film was annealed under ~5.0 × 10 –10 Torr vacuum conditions at 550 °C, 650 °C, 750 °C and 850 °C for 30 min to progressively increase the oxygen defect concentration on the surface.more » The saturated TMAA coverage on the CeO 2(111) surface determined from XPS elemental composition is found to increase with increasing oxygen defect concentration. This is attributed to the increase of under-coordinated cerium sites on the surface with the increase in the oxygen defect concentrations. Furthermore, XPS results were in agreement with periodic density functional theory (DFT) calculations and indicate a stronger binding between the carboxylate group from TMAA and the oxygen deficient CeO 2–δ(111) surface through dissociative adsorption.« less

Carbon film deposition on SnO{sub 2}/Si(111) using DC unbalanced magnetron sputtering

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

Aji, A. S.; Darma, Y.

In this paper, carbon deposition on SnO{sub 2} layer using DC unbalanced magnetron-sputtering technique at low temperature has been systematically studied. Sputtering process were carried out at pressure of 4.6×10{sup −2} Torr by keeping the substrate temperature at 300 °C. SnO{sub 2} were growth on silicon (111) substrate using thermal evaporation and continuing with dry oxidation of Sn at 225 °C. Thermal evaporation for high purity Sn was conducted by maintain the current source as high as 40 ampere. The quality of SnO{sub 2} on Si(111) and the characteristic of carbon thin film on SnO{sub 2} were analized by meanmore » XRD, FTIR and Raman spectra. XRD analysis shows that SnO{sub 2} film is growth uniformly on Si(111). FTIR and Raman spectra confirm the formation of thin film carbon on SnO{sub 2}. Additionally, thermal annealing for some sample series have been performed to study their structural stability. The change of atomic structure due to thermal annealing were analized by Raman and XRD spectra.« less

Fabrication and properties of ZnO/GaN heterostructure nanocolumnar thin film on Si (111) substrate

PubMed Central

2013-01-01

Zinc oxide thin films have been obtained on bare and GaN buffer layer decorated Si (111) substrates by pulsed laser deposition (PLD), respectively. GaN buffer layer was achieved by a two-step method. The structure, surface morphology, composition, and optical properties of these thin films were investigated by X-ray diffraction, field emission scanning electron microscopy, infrared absorption spectra, and photoluminiscence (PL) spectra, respectively. Scanning electron microscopy images indicate that the flower-like grains were presented on the surface of ZnO thin films grown on GaN/Si (111) substrate, while the ZnO thin films grown on Si (111) substrate show the morphology of inclination column. PL spectrum reveals that the ultraviolet emission efficiency of ZnO thin film on GaN buffer layer is high, and the defect emission of ZnO thin film derived from Zni and Vo is low. The results demonstrate that the existence of GaN buffer layer can greatly improve the ZnO thin film on the Si (111) substrate by PLD techniques. PMID:23448090

Fabrication and properties of ZnO/GaN heterostructure nanocolumnar thin film on Si (111) substrate.

PubMed

Wei, Xianqi; Zhao, Ranran; Shao, Minghui; Xu, Xijin; Huang, Jinzhao

2013-02-28

Zinc oxide thin films have been obtained on bare and GaN buffer layer decorated Si (111) substrates by pulsed laser deposition (PLD), respectively. GaN buffer layer was achieved by a two-step method. The structure, surface morphology, composition, and optical properties of these thin films were investigated by X-ray diffraction, field emission scanning electron microscopy, infrared absorption spectra, and photoluminiscence (PL) spectra, respectively. Scanning electron microscopy images indicate that the flower-like grains were presented on the surface of ZnO thin films grown on GaN/Si (111) substrate, while the ZnO thin films grown on Si (111) substrate show the morphology of inclination column. PL spectrum reveals that the ultraviolet emission efficiency of ZnO thin film on GaN buffer layer is high, and the defect emission of ZnO thin film derived from Zni and Vo is low. The results demonstrate that the existence of GaN buffer layer can greatly improve the ZnO thin film on the Si (111) substrate by PLD techniques.

Reaction mechanism of WGS and PROX reactions catalyzed by Pt/oxide catalysts revealed by an FeO(111)/Pt(111) inverse model catalyst.

PubMed

Xu, Lingshun; Wu, Zongfang; Jin, Yuekang; Ma, Yunsheng; Huang, Weixin

2013-08-07

We have employed XPS and TDS to study the adsorption and surface reactions of H2O, CO and HCOOH on an FeO(111)/Pt(111) inverse model catalyst. The FeO(111)-Pt(111) interface of the FeO(111)/Pt(111) inverse model catalyst exposes coordination-unsaturated Fe(II) cations (Fe(II)CUS) and the Fe(II)CUS cations are capable of modifying the reactivity of neighbouring Pt sites. Water facilely dissociates on the Fe(II)CUS cations at the FeO(111)-Pt(111) interface to form hydroxyls that react to form both water and H2 upon heating. Hydroxyls on the Fe(II)CUS cations can react with CO(a) on the neighbouring Pt(111) sites to produce CO2 at low temperatures. Hydroxyls act as the co-catalyst in the CO oxidation by hydroxyls to CO2 (PROX reaction), while they act as one of the reactants in the CO oxidation by hydroxyls to CO2 and H2 (WGS reaction), and the recombinative reaction of hydroxyls to produce H2 is the rate-limiting step in the WGS reaction. A comparison of reaction behaviors between the interfacial CO(a) + OH reaction and the formate decomposition reaction suggest that formate is the likely surface intermediate of the CO(a) + OH reaction. These results provide some solid experimental evidence for the associative reaction mechanism of WGS and PROX reactions catalyzed by Pt/oxide catalysts.

Interfacial B-site atomic configuration in polar (111) and non-polar (001) SrIrO3/SrTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Anderson, T. J.; Zhou, H.; Xie, L.; Podkaminer, J. P.; Patzner, J. J.; Ryu, S.; Pan, X. Q.; Eom, C. B.

2017-09-01

The precise control of interfacial atomic arrangement in ABO3 perovskite heterostructures is paramount, particularly in cases where the subsequent electronic properties of the material exhibit geometrical preferences along polar crystallographic directions that feature inevitably complex surface reconstructions. Here, we present the B-site interfacial structure in polar (111) and non-polar (001) SrIrO3/SrTiO3 interfaces. The heterostructures were examined using scanning transmission electron microscopy and synchrotron-based coherent Bragg rod analysis. Our results reveal the preference of B-site intermixing across the (111) interface due to the polarity-compensated SrTiO3 substrate surface prior to growth. By comparison, the intermixing at the non-polar (001) interface is negligible. This finding suggests that the intermixing may be necessary to mitigate epitaxy along heavily reconstructed and non-stoichiometric (111) perovskite surfaces. Furthermore, this preferential B-site configuration could allow the geometric design of the interfacial perovskite structure and chemistry to selectively engineer the correlated electronic states of the B-site d-orbital.

Sequence of colonization determines the composition of mixed biofilms by Escherichia coli O157:H7 and O111:H8 strains

USDA-ARS?s Scientific Manuscript database

Bacterial biofilms are one of the potential sources of cross-contamination in food processing environments. Shiga-toxin producing Escherichia coli (STEC) O157:H7 and O111:H8 are important foodborne pathogens capable of forming biofilms, and the coexistence of these two STEC serotypes has been detec...

Deposition and characterization of stoichiometric films of V2O5 on Pd(111)

NASA Astrophysics Data System (ADS)

Feng, Xu; Abdel-Rahman, Mohammed K.; Kruppe, Christopher M.; Trenary, Michael

2017-10-01

A simple and efficient method has been used to grow V2O5 thin films on Pd(111) at a substrate temperature of 300 K through physical vapor deposition by heating a fine powder of V2O5 in a non-oxidative, UHV environment. X-ray photoelectron spectroscopy (XPS), reflection absorption infrared spectroscopy (RAIRS) and low energy electron diffraction (LEED) were used to characterize the thin films. When the as-grown films exceed a minimum thickness, characteristic features of V2O5 were revealed by XPS and RAIRS, which confirms the presence of stoichiometric V2O5. LEED indicates no long range order of the as-grown films at 300 K. Annealing to temperatures between 600 and 700 K causes a reduction of V2O5 to VO2 as identified by XPS and the formation of ordered structures as determined by LEED, and VO2 is predominant after annealing to 800 K. After further annealing to 1000 K, only an ordered form of V2O3 is present on Pd(111).

Oxidation of palladium on Au(111) and ZnO(0001) supports

DOE PAGES

Lallo, J.; Tenney, S. A.; Kramer, A.; ...

2014-10-21

The oxidation of supported Pd-deposits on Au(111) and ZnO(0001) single crystals has been studied by x- ray photoemission spectroscopy (XPS). Oxidation has been carried out ex-situ in a high-pressure cell with subsequent vacuum-transfer and characterization by XPS in ultrahigh vacuum (UHV), as well as using in-situ characterization by synchrotron based near-ambient pressure XPS. On Au(111) alloying of Pd with the substrate competes with oxidation and only sufficiently thick Pd films have been found to oxidize. For Pd on ZnO the oxidation conditions depend on the amount of deposited Pd. Thicker Pd deposits behave similar to bulk Pd, while thinner filmsmore » oxidize already at lower temperatures. Interestingly, for very small amounts of Pd, in-situ XPS shows full oxidation at room temperature and at less than 0.6 mbar O₂ pressure. This indicates a lowering of the kinetic barriers for oxidation of very small supported Pd-clusters. The formed oxide is, however, not stable in UHV and a slow reduction is observed. The instability of this oxide indicates that the Pd-oxide formed at the interface to ZnO may have different chemical properties compared to bulk PdO or surface oxides on Pd.« less

Reactions of NO2 with BaO/Pt(111) Model Catalysts: The Effects of BaO Film Thickness and NO2 Pressure on the Formation of Ba(NOx)2 Species

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

Mudiyanselage, Kumudu; Yi, Cheol-Woo; Szanyi, Janos

2011-05-31

The adsorption and reaction of NO2 on BaO (<1, ~3, and >20 monolayer equivalent (MLE))/Pt(111) model systems were studied with temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS), and infrared reflection absorption spectroscopy (IRAS) under ultra-high vacuum (UHV) as well as elevated pressure conditions. NO2 reacts with sub-monolayer BaO (<1 MLE) to form nitrites only, whereas the reaction of NO2 with BaO (~3 MLE)/Pt(111) produces mainly nitrites and a small amount of nitrates under UHV conditions (PNO2 ~ 1.0 × 10-9 Torr) at 300 K. In contrast, a thick BaO(>20 MLE) layer on Pt(111) reacts with NO2 to form nitrite-nitratemore » ion pairs under the same conditions. At elevated NO2 pressures (≥ 1.0 × 10-5 Torr), however, BaO layers at all these three coverages convert to amorphous barium nitrates at 300 K. Upon annealing to 500 K, these amorphous barium nitrate layers transform into crystalline phases. The thermal decomposition of the thus-formed Ba(NOx)2 species is also influenced by the coverage of BaO on the Pt(111) substrate: at low BaO coverages, these species decompose at significantly lower temperatures in comparison with those formed on thick BaO films due to the presence of Ba(NOx)2/Pt interface where the decomposition can proceed at lower temperatures. However, the thermal decomposition of the thick Ba(NO3)2 films follows that of bulk nitrates. Results obtained from these BaO/Pt(111) model systems under UHV and elevated pressure conditions clearly demonstrate that both the BaO film thickness and the applied NO2 pressure are critical in the Ba(NOx)2 formation and subsequent thermal decomposition processes.« less

Genetic Diversity of the fliC Genes Encoding the Flagellar Antigen H19 of Escherichia coli and Application to the Specific Identification of Enterohemorrhagic E. coli O121:H19.

PubMed

Beutin, Lothar; Delannoy, Sabine; Fach, Patrick

2015-06-15

Enterohemorrhagic Escherichia coli (EHEC) O121:H19 belong to a specific clonal type distinct from other classical EHEC and major enteropathogenic E. coli groups and is regarded as one of the major EHEC serogroups involved in severe infections in humans. Sequencing of the fliC genes associated with the flagellar antigen H19 (fliCH19) revealed the genetic diversity of the fliCH19 gene sequences in E. coli. A cluster analysis of 12 fliCH19 sequences, 4 from O121 and 8 from non-O121 E. coli strains, revealed five different genotypes. All O121:H19 strains fell into one cluster, whereas a second cluster was formed by five non-O121:H19 strains. Cluster 1 and cluster 2 strains differ by 27 single nucleotide exchanges in their fliCH19 genes (98.5% homology). Based on allele discrimination of the fliCH19 genes, a real-time PCR test was designed for specific identification of EHEC O121:H19. The O121 fliCH19 PCR tested negative in 73 E. coli H19 strains that belonged to serogroups other than O121, including 28 different O groups, O-nontypeable H19, and O-rough:H19 strains. The O121 fliCH19 PCR reacted with all 16 tested O121:H19 strains and 1 O-rough:H19 strain which was positive for the O121 wzx gene. A cross-reaction was observed only with E. coli H32 strains which share sequence similarities in the target region of the O121 fliCH19 PCR. The combined use of O-antigen genotyping (O121 wzx) and the detection of O121 fliCH19 allele type contributes to improving the identification and molecular serotyping of EHEC O121:H19 motile and nonmotile strains and variants of these strains lacking stx genes. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

Genetic Diversity of the fliC Genes Encoding the Flagellar Antigen H19 of Escherichia coli and Application to the Specific Identification of Enterohemorrhagic E. coli O121:H19

PubMed Central

Beutin, Lothar; Delannoy, Sabine

2015-01-01

Enterohemorrhagic Escherichia coli (EHEC) O121:H19 belong to a specific clonal type distinct from other classical EHEC and major enteropathogenic E. coli groups and is regarded as one of the major EHEC serogroups involved in severe infections in humans. Sequencing of the fliC genes associated with the flagellar antigen H19 (fliCH19) revealed the genetic diversity of the fliCH19 gene sequences in E. coli. A cluster analysis of 12 fliCH19 sequences, 4 from O121 and 8 from non-O121 E. coli strains, revealed five different genotypes. All O121:H19 strains fell into one cluster, whereas a second cluster was formed by five non-O121:H19 strains. Cluster 1 and cluster 2 strains differ by 27 single nucleotide exchanges in their fliCH19 genes (98.5% homology). Based on allele discrimination of the fliCH19 genes, a real-time PCR test was designed for specific identification of EHEC O121:H19. The O121 fliCH19 PCR tested negative in 73 E. coli H19 strains that belonged to serogroups other than O121, including 28 different O groups, O-nontypeable H19, and O-rough:H19 strains. The O121 fliCH19 PCR reacted with all 16 tested O121:H19 strains and 1 O-rough:H19 strain which was positive for the O121 wzx gene. A cross-reaction was observed only with E. coli H32 strains which share sequence similarities in the target region of the O121 fliCH19 PCR. The combined use of O-antigen genotyping (O121 wzx) and the detection of O121 fliCH19 allele type contributes to improving the identification and molecular serotyping of EHEC O121:H19 motile and nonmotile strains and variants of these strains lacking stx genes. PMID:25862232

The polymorphic aggregative phenotype of Shiga toxin-producing Escherichia coli O111 depends on rpoS and curli

USDA-ARS?s Scientific Manuscript database

Escherichia coli O111 is an emerging non-O157:H7 Shiga toxin-producing E. coli (STEC). We previously reported that outbreak and environmental, but not sporadic case, strains of STEC O111 share a distinct aggregation phenotype (M. E. Diodati, A. H. Bates, M. B. Cooley, S. Walker, R. E. Mandrell, and ...

Liquid petroleum gas sensing application of ZnO/CdO:ZnO nanocomposites at low temperature

NASA Astrophysics Data System (ADS)

Rajput, Jeevitesh K.; Pathak, T. K.; Kumar, V.; Swart, H. C.; Purohit, L. P.

2018-04-01

ZnO and CdO:ZnO nanoparticles are synthesized by sol-gel precipitation method. The structural analysis shows composite structure for CdO:ZnO nanoparticles with (002) and (111) phase. The SEM images show wedge like morphology and 3-D hexagonal morphology with ˜110 nm in size. The uniform growth of CdO:ZnO nanoparticles were observed in EDS element mapping image. LPG sensing was observed for CdO:ZnO nanoparticle with rapid sensing response 8.69% at operating temperature 50°C. This sensing response can be accounted due by absorption ions reactions at low operating temperature.

Hydrodeoxygenation of p -Cresol over Pt/Al 2 O 3 Catalyst Promoted by ZrO 2 , CeO 2 , and CeO 2 –ZrO 2

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

Wang, Weiyan; Wu, Kui; Liu, Pengli

2016-07-20

ZrO 2-Al 2O 3 and CeO 2-Al 2O 3 were prepared by a co-precipitation method and selected as supports for Pt catalysts. The effects of CeO 2 and ZrO 2 on the surface area and Brønsted acidity of Pt/Al 2O 3 were studied. In the hydrodeoxygenation (HDO) of p-cresol, the addition of ZrO 2 promoted the direct deoxygenation activity on Pt/ZrOO 2-Al 2O 3 via Caromatic-O bond scission without benzene ring saturation. Pt/CeOO 2-Al 2O 3 exhibited higher deoxygenation extent than Pt/Al 2O 3 due to the fact that Brønsted acid sites on the catalyst surface favored the adsorption ofmore » p-cresol. With the advantages of CeO 2 and ZrO 2 taken into consideration, CeO 2-ZrOO 2-Al 2O 3 was prepared, leading to the highest HDO activity of Pt/CeO 2-ZrOO 2-Al 2O 3. The deoxygenation extent for Pt/CeO 2-ZrOO 2-Al 2O 3 was 48.4% and 14.5% higher than that for Pt/ZrO2O 2-Al 2O 3 and Pt/CeOO 2-Al 2O 3, respectively.« less

Effect of RuO2 growth temperature on ferroelectric properties of RuO2/Pb(Zr, Ti)O3/RuO2/Pt capacitors

NASA Astrophysics Data System (ADS)

Norga, G. J.; Fè, Laura; Wouters, D. J.; Maes, H. E.

2000-03-01

We present a promising method for obtaining Pb(Zr, Ti)O3(PZT) layers with excellent endurance and pulse-switching properties on RuO2 electrodes using the sol-gel method. As the substrate temperature during reactive sputtering of the RuO2 bottom electrode layer is reduced, the (111) PZT texture component becomes more pronounced, an effect attributed to the change from columnar to granular RuO2 film morphology. Reducing the residual PZT (100) and (101) texture components was found to be a necessary condition for obtaining optimal pulse switching and endurance properties of the layers. Highly (111)-oriented PZT layers, obtained on RuO2 grown at 150 °C exhibit a net switched charge of >60 μC/cm2 during pulse measurement and <10% degradation after 1011 fatigue cycles.

A comparative investigation of SO2 oxidative transfer over CuO with a CeO2 surface

NASA Astrophysics Data System (ADS)

Liu, Yifeng; Shen, Benxian; Pi, Zhipeng; Chen, Hua; Zhao, Jigang

2017-04-01

To further improve the catalytic desulfurization function of the Mg-Al spinel sulfur transfer agent in a fluid catalytic cracking (FCC) unit, the reaction paths of SO2 oxidation by O2 over the metal oxide surface of CuO (111) and CeO2 (111) were investigated. In reference to the fact that SO2 reacting with O2 over CuO was a Mars-van Krevelen cycle, a similar reaction law for SO2 oxidation over CeO2 was also verified by characterization methods (e.g., IR, XPS). Meanwhile, the molecular simulation results indicated that the rate-control step of SO2 oxidation over CeO2 (111) and CuO (111) was a SO3 desorption step. The lower energy barrier in the rate-control step corresponded to better catalytic performance; hence, it could explain the reason that CeO2 had a better sulfur oxidization transfer performance than CuO.

Development of buffer layer structure for epitaxial growth of (100)/(001)Pb(Zr,Ti)O3-based thin film on (111)Si wafer

NASA Astrophysics Data System (ADS)

Hayasaka, Takeshi; Yoshida, Shinya; Tanaka, Shuji

2017-07-01

This paper reports on the development of a novel buffer layer structure, (100)SrRuO3/(100)LaNiO3/(111)Pt/(111)CeO2, for the epitaxial growth of a (100)/(001)-oriented Pb(Zr,Ti)O3 (PZT)-based thin film on a (111)Si wafer. (111)Pt and (111)CeO2 were epitaxially grown on (111)Si straightforwardly. Then, the crystal orientation was forcibly changed from (111) to (100) at the LaNiO3 layer owing to its strong (100)-self-orientation property, which enabled the cube-on-cube epitaxial growth of the subsequent (100)SrRuO3 layer and preferentially (100)/(001)-oriented PZT-based thin film. The PZT-based epitaxial thin films were comprehensively characterized in terms of the crystallinity, in-plane epitaxial relationships, piezoelectricity, and so forth. This buffer layer structure for the epitaxial growth of PZT can be applied to piezoelectric micro-electro-mechanical systems (MEMS) vibrating ring gyroscopes.

Magnetoresistance in the superconducting state at the (111) LaAlO3/SrTiO3 interface

NASA Astrophysics Data System (ADS)

Davis, S.; Huang, Z.; Han, K.; Ariando, Venkatesan, T.; Chandrasekhar, V.

2017-10-01

Condensed-matter systems that simultaneously exhibit superconductivity and ferromagnetism are rare due the antagonistic relationship between conventional spin-singlet superconductivity and ferromagnetic order. In materials in which superconductivity and magnetic order are known to coexist (such as some heavy-fermion materials), the superconductivity is thought to be of an unconventional nature. Recently, the conducting gas that lives at the interface between the perovskite band insulators LaAlO3 (LAO) and SrTiO3 (STO) has also been shown to host both superconductivity and magnetism. Most previous research has focused on LAO/STO samples in which the interface is on the (001) crystal plane. Relatively little work has focused on the (111) crystal orientation, which has hexagonal symmetry at the interface, and has been predicted to have potentially interesting topological properties, including unconventional superconducting pairing states. Here we report measurements of the magnetoresistance of (111) LAO/STO heterostructures at temperatures at which they are also superconducting. As with the (001) structures, the magnetoresistance is hysteretic, indicating the coexistence of magnetism and superconductivity, but in addition, we find that this magnetoresistance is anisotropic. Such an anisotropic response is completely unexpected in the superconducting state and suggests that (111) LAO/STO heterostructures may support unconventional superconductivity.

Hydrogenation of CO 2 on ZnO/Cu(100) and ZnO/Cu(111) Catalysts: Role of Copper Structure and Metal–Oxide Interface in Methanol Synthesis

DOE PAGES

Palomino, Robert M.; Ramirez, Pedro J.; Liu, Zongyuan; ...

2017-08-21

The results of kinetic tests and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) show the important role played by a ZnO–copper interface in the generation of CO and the synthesis of methanol from CO 2 hydrogenation. The deposition of nanoparticles of ZnO on Cu(100) and Cu(111), θ oxi < 0.3 monolayer, produces highly active catalysts. The catalytic activity of these systems increases in the sequence: Cu(111) < Cu(100) < ZnO/Cu(111) < ZnO/Cu(100). The structure of the copper substrate influences the catalytic performance of a ZnO–copper interface. Furthermore, size and metal–oxide interactions affect the chemical and catalytic properties of the oxide making themore » supported nanoparticles different from bulk ZnO. The formation of a ZnO–copper interface favors the binding and conversion of CO 2 into a formate intermediate that is stable on the catalyst surface up to temperatures above 500 K. Alloys of Zn with Cu(111) and Cu(100) were not stable at the elevated temperatures (500–600 K) used for the CO 2 hydrogenation reaction. However, reaction with CO 2 oxidized the zinc, enhancing its stability over the copper substrates.« less

Hydrogenation of CO 2 on ZnO/Cu(100) and ZnO/Cu(111) Catalysts: Role of Copper Structure and Metal–Oxide Interface in Methanol Synthesis

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

Palomino, Robert M.; Ramirez, Pedro J.; Liu, Zongyuan

The results of kinetic tests and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) show the important role played by a ZnO–copper interface in the generation of CO and the synthesis of methanol from CO 2 hydrogenation. The deposition of nanoparticles of ZnO on Cu(100) and Cu(111), θ oxi < 0.3 monolayer, produces highly active catalysts. The catalytic activity of these systems increases in the sequence: Cu(111) < Cu(100) < ZnO/Cu(111) < ZnO/Cu(100). The structure of the copper substrate influences the catalytic performance of a ZnO–copper interface. Furthermore, size and metal–oxide interactions affect the chemical and catalytic properties of the oxide making themore » supported nanoparticles different from bulk ZnO. The formation of a ZnO–copper interface favors the binding and conversion of CO 2 into a formate intermediate that is stable on the catalyst surface up to temperatures above 500 K. Alloys of Zn with Cu(111) and Cu(100) were not stable at the elevated temperatures (500–600 K) used for the CO 2 hydrogenation reaction. However, reaction with CO 2 oxidized the zinc, enhancing its stability over the copper substrates.« less

Comparison of the fate of the top six non-O157 shiga-toxin producing Escherichia coli (STEC) and E. coli O157:H7 during the manufacture of dry fermented sausages.

PubMed

Balamurugan, S; Ahmed, Rafath; Gao, Anli; Strange, Phil

2017-10-16

The study examined the relative fate of the top six non-O157 shiga-toxin producing Escherichia coli (STEC) and E. coli O157:H7 during the manufacture of dry fermented sausages (DFS). Three separate batches of sausages containing a five-strain cocktail for each serogroup and uninoculated control were manufactured and subjected to identical fermentation, maturation and dry curing conditions. Changes in physicochemical properties and inoculated STEC numbers were enumerated during the DFS production stages and log reduction and log reduction rates were calculated. Inoculation of very high concentrations (8logCFUg -1 ) of STEC in the sausage batter did not significantly (P>0.05) affect the changes in the pH, a w , moisture, protein, fat content compared to the uninoculated DFS. There was a significant (P<0.05) reduction in counts within the 48h fermentation for all STEC serogroups inoculated by about 0.97- to 1.42-log units. However, during the sausage maturation stage, all serogroups except O121 and O45 showed a significant reduction in numbers. During the extended 34day drying stage, all STEC serogroups showed a significant reduction in counts reaching a 5-log reduction within 20 to 27days of drying. ANOVA of the log reduction rates revealed significant differences in the reduction rates among the STEC serogroups examined. During the fermentation stage, serogroup O45 had the highest reduction rate at 0.98-logCFUg -1 day -1 which was significantly higher compared to all other STEC serogroups (P<0.05), while O26 was the most tolerant to the conditions encountered during the fermentation stage with a reduction rate of 0.49-logCFUg -1 day -1 . However, during the extended 34days drying stage all STEC serogroups showed a steady reduction in population with a reduction rate ranging from 0.11- to 0.18-logCFUg -1 day -1 . The log reduction rate of E. coli O157:H7 was similar to that of serogroups O111 and O103, but was significantly lower (P<0.05) than all other STEC

Interfacial dislocations in (111) oriented (Ba 0.7Sr 0.3)TiO 3 films on SrTiO 3 single crystal

DOE PAGES

Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; ...

2015-10-08

In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO 3 films grown on (111)-oriented SrTiO 3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography,more » we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba 0.7Sr 0.3)TiO 3 films.« less

Reactivity of a Thick BaO Film Supported on Pt(111): Adsorption and Reaction of NO2, H2O and CO2

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

Mudiyanselage, Kumudu; Yi, Cheol-Woo W.; Szanyi, Janos

2009-09-15

Reactions of NO2, H2O, and CO2 with a thick (> 20 MLE) BaO film supported on Pt(111) were studied with temperature programmed desorption (TPD) and X-ray photoelectron spectroscopy (XPS). NO2 reacts with a thick BaO to form surface nitrite-nitrate ion pairs at 300 K, while only nitrates form at 600 K. In the thermal decomposition process of nitrite–nitrate ion pairs, first nitrites decompose and desorb as NO. Then nitrates decompose in two steps : at lower temperature with the release of NO2 and at higher temperature, nitrates dissociate to NO + O2. The thick BaO layer converts completely to Ba(OH)2more » following the adsorption of H2O at 300 K. Dehydration/dehydroxylation of this hydroxide layer can be fully achieved by annealing to 550 K. CO2 also reacts with BaO to form BaCO3 that completely decomposes to regenerate BaO upon annealing to 825 K. However, the thick BaO film cannot be converted completely to Ba(NOx)2 or BaCO3 under the experimental conditions employed in this study.« less

Nanosecond laser switching of surface wettability and epitaxial integration of c-axis ZnO thin films with Si(111) substrates.

PubMed

Molaei, R; Bayati, M R; Alipour, H M; Estrich, N A; Narayan, J

2014-01-08

We have achieved integration of polar ZnO[0001] epitaxial thin films with Si(111) substrates where cubic yttria-stabilized zirconia (c-YSZ) was used as a template on a Si(111) substrate. Using XRD (θ-2θ and φ scans) and HRTEM techniques, the epitaxial relationship between the ZnO and the c-YSZ layers was shown to be [0001]ZnO || [111]YSZ and [21¯1¯0]ZnO || [1¯01](c-YSZ), where the [21¯1¯0] direction lies in the (0001) plane, and the [1¯01] direction lies in the (111) plane. Similar studies on the c-YSZ/Si interface revealed epitaxy as (111)YSZ || (111)Si and in-plane (110)YSZ || (110)Si. HRTEM micrographs revealed atomically sharp and crystallographically continuous interfaces. The ZnO epilayers were subsequently laser annealed by a single pulse of a nanosecond excimer KrF laser. It was shown that the hydrophobic behavior of the pristine sample became hydrophilic after laser treatment. XPS was employed to study the effect of laser treatment on surface stoichiometry of the ZnO epilayers. The results revealed the formation of oxygen vacancies, which are envisaged to control the observed hydrophilic behavior. Our AFM studies showed surface smoothing due to the coupling of the high energy laser beam with the surface. The importance of integration of c-axis ZnO with Si(111) substrates is emphasized using the paradigm of domain matching epitaxy on the c-YSZ[111] buffer platform along with their out-of-plane orientation, which leads to improvement of the performance of the solid-state devices. The observed ultrafast response and switching in photochemical characteristics provide new opportunities for application of ZnO in smart catalysts, sensors, membranes, DNA self-assembly and multifunctional devices.

High genotypic and phenotypic similarity among Shiga toxin-producing Escherichia coli O111 environmental and outbreak strains.

PubMed

Diodati, Michelle E; Bates, Anne H; Cooley, Michael B; Walker, Samarpita; Mandrell, Robert E; Brandl, Maria T

2015-03-01

Escherichia coli serogroup O111 is among the six most commonly reported non-O157:H7 Shiga toxin-producing E. coli (STEC), which are emerging as important foodborne pathogens. We have assembled a collection of environmental and clinical strains of E. coli O111 from diverse sources and investigated various genotypic and phenotypic characteristics of these strains to gain a better understanding of the epidemiology and biology of this serogroup. Sixty-three percent of the strains (24/38) were of H-type 8, which dominated the environmental- and outbreak-strains group, whereas the sporadic-case strains were more heterogeneous in H-type. All of the environmental and outbreak strains harbored the Shiga toxin 1 gene (stx1), eae, and ehx, and a subset of these also carried the Shiga toxin 2 gene (stx2). Only 9 of 16 sporadic-case strains produced stx1 and/or stx2, and these were mostly of H-type 8 and 10. Pulsed-field gel electrophoresis analysis revealed a cluster of environmental, outbreak, and sporadic illness strains with high phylogenetic similarity. Strains in this pulsogroup were all of the H8 type and STEC pathotype, and carried eae and ehx. Smaller clusters of highly similar STEC O111 strains included outbreak and sporadic illness strains isolated during different time periods or from different geographical locations. A distinct aggregative behavior was observed in the cultures of all environmental and outbreak STEC O111 strains, but not in those of sporadic-case strains. Among environmental and outbreaks strains, aggregation was positively correlated with production of curli fimbriae and RpoS function, and negatively with cellulose synthesis, while the nonaggregative behavior of sporadic-case strains correlated (positively) only with cellulose production. Our results indicate that STEC O111 strains sharing high genotypic similarity and important phenotypic traits with STEC O111 outbreak strains are present in the agricultural environment and may contribute to the

Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces [Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces: Implications for catalysis and energy applications

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

Weck, Philippe F.; Juan, Pierre -Alexandre; Dingreville, Remi

The structures and properties of Ce 1–xZr xO 2 (x = 0–1) solid solutions, selected Ce 1–xZr xO 2 surfaces, and Ce 1–xZr xO 2/CeO 2 interfaces were computed within the framework of density functional theory corrected for strong electron correlation (DFT+ U). The calculated Debye temperature increases steadily with Zr content in (Ce, Zr)O 2 phases, indicating a significant rise in microhardness from CeO 2 to ZrO 2, without appreciable loss in ductility as the interfacial stoichiometry changes. Surface energy calculations for the low-index CeO 2(111) and (110) surfaces show limited sensitivity to strong 4f-electron correlation. The fracture energymore » of Ce 1–xZr xO 2(111)/CeO 2(111) increases markedly with Zr content, with a significant decrease in energy for thicker Ce 1–xZr xO 2 films. These findings suggest the crucial role of Zr acting as a binder at the Ce 1–xZr xO 2/CeO 2 interfaces, due to the more covalent character of Zr–O bonds compared to Ce–O. Finally, the impact of surface relaxation upon interface cracking was assessed and found to reach a maximum for Ce 0.25Zr 0.75O 2/CeO 2 interfaces.« less

Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces [Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces: Implications for catalysis and energy applications

DOE PAGES

Weck, Philippe F.; Juan, Pierre -Alexandre; Dingreville, Remi; ...

2017-06-21

The structures and properties of Ce 1–xZr xO 2 (x = 0–1) solid solutions, selected Ce 1–xZr xO 2 surfaces, and Ce 1–xZr xO 2/CeO 2 interfaces were computed within the framework of density functional theory corrected for strong electron correlation (DFT+ U). The calculated Debye temperature increases steadily with Zr content in (Ce, Zr)O 2 phases, indicating a significant rise in microhardness from CeO 2 to ZrO 2, without appreciable loss in ductility as the interfacial stoichiometry changes. Surface energy calculations for the low-index CeO 2(111) and (110) surfaces show limited sensitivity to strong 4f-electron correlation. The fracture energymore » of Ce 1–xZr xO 2(111)/CeO 2(111) increases markedly with Zr content, with a significant decrease in energy for thicker Ce 1–xZr xO 2 films. These findings suggest the crucial role of Zr acting as a binder at the Ce 1–xZr xO 2/CeO 2 interfaces, due to the more covalent character of Zr–O bonds compared to Ce–O. Finally, the impact of surface relaxation upon interface cracking was assessed and found to reach a maximum for Ce 0.25Zr 0.75O 2/CeO 2 interfaces.« less

Influence of Au and TiO2 structures on hydrogen dissociation over TiO2/Au(100)

NASA Astrophysics Data System (ADS)

Nakamura, I.; Mantoku, H.; Furukawa, T.; Takahashi, A.; Fujitani, T.

2012-11-01

We performed H2-D2 exchange reactions over TiOx/Au(100) and compared the observed reaction kinetics with those reported for TiOx/Au(111) in order to clarify the influence of the Au and TiO2 structures on dissociation of H2 molecules. Low energy electron diffraction observations showed that the TiO2 produced on Au(100) was disordered, in contrast to the comparatively ordered TiO2 structure formed on Au(111). The activation energies and the turnover frequencies for HD formation over TiO2/Au(100) agreed well with those for TiO2/Au(111), clearly indicating that the hydrogen dissociation sites created over TiO2/Au(100) were the perimeter interface between stoichiometric TiO2 and Au, as was previously concluded for TiO2/Au(111). We concluded that the creation of active sites for hydrogen dissociation was independent of the Au and TiO2 structures consisting perimeter interface, and that local bonds that formed between Au and O atoms of stoichiometric TiO2 were essential for the creation of active sites.

Fabrication and characterization of {110}-oriented Pb(Zr,Ti)O3 thin films on Pt/SiO2/Si substrates using PdO//Pd buffer layer

NASA Astrophysics Data System (ADS)

Oshima, Naoya; Uchiyama, Kiyoshi; Ehara, Yoshitaka; Oikawa, Takahiro; Ichinose, Daichi; Tanaka, Hiroki; Sato, Tomoya; Uchida, Hiroshi; Funakubo, Hiroshi

2017-10-01

A strongly {110}-oriented perovskite-type thin film of tetragonal Pb(Zr0.4Ti0.6)O3 (PZT) was successfully obtained on a (100)Si substrate using a {101}PdO//{111}Pd thin film as a buffer layer. The {101}PdO//{111}Pd thin film buffer layer was obtained by oxidizing {111}Pd after depositing {111}Pd on a {111}Pt/TiO x /SiO2/{100}Si substrate. Using this buffer layer, a {110} c -oriented SrRuO3 (SRO) thin film was deposited by sputtering as a bottom electrode of PZT thin films. Subsequently, the {110}-oriented PZT thin film can be deposited on a (110) c SRO thin film by metal-organic chemical deposition (MOCVD) and its properties can be compared with those of PZT thin films with other orientations of {100} and {111}. Among the {100}, {110}, {111}-oriented PZT films, the {100}-oriented one showed the largest remnant polarization, which is in good agreement with those of the PZTs epitaxially grown in the 〈100〉, 〈110〉, and 〈111〉 directions. The other properties, i.e., piezoelectricity and dielectric constants, also showed similar anisotropic tendencies, which is in good agreement with the data reported in the epitaxially grown PZTs.

CO adsorption on the “29” Cu xO/Cu(111) surface: An integrated DFT, STM, and TPD study

DOE PAGES

Hensley, Alyssa J. R.; Therrien, Andrew J.; Zhang, Renqin; ...

2016-10-04

The elucidation of an accurate atomistic model of surface structures is crucial for the design and understanding of effective catalysts, a process requiring a close collaboration between experimental observations and theoretical models. Any developed surface theoretical model must agree with experimental results for the surface when both clean and adsorbate covered. Here, we present a detailed study of the adsorption of CO on the “29” Cu xO/ Cu(111) surface, which is important in the understanding of ubiquitous Cubased catalysis. This study uses scanning tunneling microscopy, temperatureprogrammed desorption, and density functional theory to analyze CO adsorption on the “29” Cu xO/Cu(111)more » surface. From the experimental scanning tunneling microscopy images, CO was found to form six different ordered structures on the “29” Cu xO/Cu(111) surface depending on the surface CO coverage. By modeling the adsorption of CO on our atomistic model of the “29” Cu xO/Cu(111) surface at different coverages, we were able to match the experimentally observed CO ordered structures to specific combinations of sites on the “29” Cu xO/Cu(111) surface. Lastly, the high degree of agreement seen here between experiment and theory for the adsorption of CO on the “29” Cu xO/Cu(111) surface at various CO coverages provides further support that our atomistic model of the “29” Cu xO/Cu(111) surface is experimentally accurate.« less

Two-dimensional electron gases in MgZnO/ZnO and ZnO/MgZnO/ZnO heterostructures grown by dual ion beam sputtering

NASA Astrophysics Data System (ADS)

Singh, Rohit; Arif Khan, Md; Sharma, Pankaj; Than Htay, Myo; Kranti, Abhinav; Mukherjee, Shaibal

2018-04-01

This work reports on the formation of high-density (~1013-1014 cm-2) two-dimensional electron gas (2DEG) in ZnO-based heterostructures, grown by a dual ion beam sputtering system. We probe 2DEG in bilayer MgZnO/ZnO and capped ZnO/MgZnO/ZnO heterostructures utilizing MgZnO barrier layers with varying thickness and Mg content. The effect of the ZnO cap layer thickness on the ZnO/MgZnO/ZnO heterostructure is also studied. Hall measurements demonstrate that the addition of a 5 nm ZnO cap layer results in an enhancement of the 2DEG density by about 1.5 times compared to 1.11 × 1014 cm-2 for the uncapped bilayer heterostructure with the same 30 nm barrier thickness and 30 at.% Mg composition in the barrier layer. From the low-temperature Hall measurement, the sheet carrier concentration and mobility are both found to be independent of the temperature. The capacitance-voltage measurement suggests a carrier density of ~1020 cm-3, confined in 2DEG at the MgZnO/ZnO heterointerface. The results presented are significant for the optimization of 2DEG for the eventual realization of cost-effective and large-area MgZnO/ZnO-based high-electron-mobility transistors.

Initial Reduction of CO2 on Pd-, Ru-, and Cu-Doped CeO2(111) Surfaces: Effects of Surface Modification on Catalytic Activity and Selectivity.

PubMed

Guo, Chen; Wei, Shuxian; Zhou, Sainan; Zhang, Tian; Wang, Zhaojie; Ng, Siu-Pang; Lu, Xiaoqing; Wu, Chi-Man Lawrence; Guo, Wenyue

2017-08-09

Surface modification by metal doping is an effective treatment technique for improving surface properties for CO 2 reduction. Herein, the effects of doped Pd, Ru, and Cu on the adsorption, activation, and reduction selectivity of CO 2 on CeO 2 (111) were investigated by periodic density functional theory. The doped metals distorted the configuration of a perfect CeO 2 (111) by weakening the adjacent Ce-O bond strength, and Pd doping was beneficial for generating a highly active O vacancy. The analyses of adsorption energy, charge density difference, and density of states confirmed that the doped metals were conducive for enhancing CO 2 adsorption, especially for Cu/CeO 2 (111). The initial reductive dissociation CO 2 → CO* + O* on metal-doped CeO 2 (111) followed the sequence of Cu- > perfect > Pd- > Ru-doped CeO 2 (111); the reductive hydrogenation CO 2 + H → COOH* followed the sequence of Cu- > perfect > Ru- > Pd-doped CeO 2 (111), in which the most competitive route on Cu/CeO 2 (111) was exothermic by 0.52 eV with an energy barrier of 0.16 eV; the reductive hydrogenation CO 2 + H → HCOO* followed the sequence of Ru- > perfect > Pd-doped CeO 2 (111). Energy barrier decomposition analyses were performed to identify the governing factors of bond activation and scission along the initial CO 2 reduction routes. Results of this study provided deep insights into the effect of surface modification on the initial reduction mechanisms of CO 2 on metal-doped CeO 2 (111) surfaces.

Improvement in dielectric and mechanical performance of CaCu3.1Ti4O12.1 by addition of Al2O3 nanoparticles

PubMed Central

2012-01-01

The properties of CaCu3.1Ti4O12.1 [CC3.1TO] ceramics with the addition of Al2O3 nanoparticles, prepared via a solid-state reaction technique, were investigated. The nanoparticle additive was found to inhibit grain growth with the average grain size decreasing from approximately 7.5 μm for CC3.1TO to approximately 2.0 μm for the unmodified samples, while the Knoop hardness value was found to improve with a maximum value of 9.8 GPa for the 1 vol.% Al2O3 sample. A very high dielectric constant > 60,000 with a low loss tangent (approximately 0.09) was observed for the 0.5 vol.% Al2O3 sample at 1 kHz and at room temperature. These data suggest that nanocomposites have a great potential for dielectric applications. PMID:22221316

Enhanced Visible-Light Photocatalytic H2 Evolution in Cu2O/Cu2Se Multilayer Heterostructure Nanowires Having {111} Facets and Physical Mechanism.

PubMed

Liu, Bin; Ning, Lichao; Zhang, Congjie; Zheng, Hairong; Liu, Shengzhong Frank; Yang, Heqing

2018-06-21

It is rather challenging to develop photocatalysts based on narrow-band-gap semiconductors for water splitting under solar irradiation. Herein, we synthesized the Cu 2 O/Cu 2 Se multilayer heterostructure nanowires exposing {111} crystal facets by a hydrothermal reaction of Se with Cu and KBH 4 in ethanol amine aqueous solution and subsequent annealing in air. The photocatalytic H 2 production activity of Cu 2 O/Cu 2 Se multilayer heterostructure nanowires is dramatically improved, with an increase on the texture coefficient of Cu 2 O(111) and Cu 2 Se(111) planes, and thus the exposed {111} facets may be the active surfaces for photocatalytic H 2 production. On the basis of the polar structure of Cu 2 O {111} and Cu 2 Se {111} surfaces, we presented a model of charge separation between the Cu-Cu 2 Se(111) and O-Cu 2 O(1̅ 1̅ 1̅) polar surfaces. An internal electric field is created between Cu-Cu 2 Se(111) and O-Cu 2 O(1̅ 1̅ 1̅) polar surfaces, because of spontaneous polarization. As a result, this internal electric field drives the photocreated charge separation. The oxidation and reduction reactions selectively occur at the negative O-Cu 2 O(1̅ 1̅ 1̅) and the positive Cu-Cu 2 Se(111) surfaces. The polar surface-engineering may be a general strategy for enhancing the photocatalytic H 2 -production activity of semiconductor photocatalysts. The charge separation mechanism not only can deepen the understanding of photocatalytic H 2 production mechanism but also provides a novel insight into the design of advanced photocatalysts, other photoelectric devices, and solar cells.

Simultaneous direct detection of Shiga-toxin producing Escherichia coli (STEC) strains by gold nanoparticle optical sensing

USDA-ARS?s Scientific Manuscript database

Shiga-toxin producing Escherichia coli (STEC) strains (“Big Six” – O26, O45, O103, O111, O121, O145, and O157) represent significant groups of pathogens responsible for foodborne diseases. The objective of this study was to develop a colorimetric optical sensing assay that can simultaneously detect ...

Evaluation of a surface plasmon resonance imaging-based multiplex O-antigen serogrouping for Escherichia coli using eleven major serotypes of Shiga -toxin-producing E. coli.

PubMed

Nakano, Satoshi; Nagao, Miki; Yamasaki, Tomomi; Morimura, Hiroyuki; Hama, Natsuki; Iijima, Yoshio; Shinomiya, Hiroto; Tanaka, Michio; Yamamoto, Masaki; Matsumura, Yasufumi; Miyake, Shiro; Ichiyama, Satoshi

2018-06-01

The early detection of Shiga toxin-producing Escherichia coli (STEC) is important for early diagnosis and preventing the spread of STEC. Although the confirmatory test for STEC should be based on the detection of Shiga toxin using molecular analysis, isolation permits additional characterization of STEC using a variety of methods, including O:H serotyping. The conventional slide agglutination O-antigen serogrouping used in many clinical laboratories is laborious and time-consuming. Surface plasmon resonance (SPR)-based immunosensors are commonly used to investigate a large variety of bio-interactions such as antibody/antigen, peptide/antibody, DNA/DNA, and antibody/bacteria interactions. SPR imaging (SPRi) is characterized by multiplexing capabilities for rapidly screening (approximately 100 to several hundred sensorgrams in parallel) molecules. SPRi-based O-antigen serogrouping method for STEC was recently developed by detecting the interactions between O-antigen-specific antibodies and bacterial cells themselves. The aim of this study was to evaluate its performance for E. coli serogrouping using clinical STEC isolates by comparing the results of slide agglutination tests. We tested a total of 188 isolates, including O26, O45, O91, O103, O111, O115, O121, O128, O145, O157, and O159. The overall sensitivity of SPRi-based O-antigen serogrouping was 98.9%. Only two O157 isolates were misidentified as nontypeable and O121. The detection limits of all serotypes were distributed between 1.1 × 10 6 and 17.6 × 10 6  CFU/ml. Pulsed-field gel electrophoresis (PFGE) revealed the heterogeneity of the examined isolates. In conclusion, SPRi is a useful method for the O-antigen serogrouping of STEC isolates, but the further evaluation of non-O157 minor serogroups is needed. Copyright © 2018 Japanese Society of Chemotherapy and The Japanese Association for Infectious Diseases. Published by Elsevier Ltd. All rights reserved.

Evaluation of different immuno-magnetic beads and selective plating media for the confirmation of Shiga toxin-producing Escherichia coli detected by molecular methods in beef trim enrichment broths

USDA-ARS?s Scientific Manuscript database

Introduction: Shiga toxin-producing E. coli of serogroups O26, O45, O103, O111, O121 and O145 are a testing concern for the beef industry and regulators. Numerous tests are available that attempt to predict the presence of these pathogens. However, potential positive results require culture confir...

Rapid Identification of Shiga Toxin-Producing Escherichia coli O Serogroups from Fresh Produce and Raw Milk Enrichment Cultures by Luminex Bead-Based Suspension Array.

PubMed

Kase, Julie A; Maounounen-Laasri, Anna; Lin, Andrew

2016-09-01

The U.S. Food and Drug Administration's Bacteriological Analytical Manual (BAM) Chapter 4a describes a Luminex microbead-based suspension array used to screen colonies for 11 clinically relevant Shiga toxin-producing Escherichia coli (STEC) serogroups: O26, O45, O91, O103, O104, O111, O113, O121, O128, O145, and O157. We evaluated the usefulness of this method to identify STEC-positive enrichment samples before agar plating. Twelve E. coli strains were added to three types of fresh produce (bagged baby spinach, alfalfa sprouts, and cilantro) at levels near the detection limit of the test. A subset of these strains (six O serogroups) was similarly evaluated in raw milk. For comparison, portions of each of the 168 enrichment cultures were analyzed for serogroup by a real-time PCR assay and a Bio-Plex 200 assay with the bead-based suspensions. No false-positive results were obtained. Of the 112 samples with a reported cycle threshold (C T ) value, 101 undiluted, diluted, or extracted enrichment cultures also produced ratios above 5.0 in the Bio-Plex assay. When PCR C T values approached or were greater than 35, Bio-Plex detection became less reliable. Using undiluted or extracted enrichment cultures resulted in a significantly larger number of positive results. With the same enrichment material prepared for real-time PCR analysis as described in the BAM Chapter 4a, the STEC microbead-based suspension array can accurately screen food enrichment cultures.

Theoretical Study of Trimethylacetic Acid Adsorption on CeO 2 (111) Surface

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

Wang, Weina; Thevuthasan, S.; Wang, Wenliang

We investigated trimethylacetic acid (TMAA) adsorption on stoichiometric and oxygen-deficient CeO 2(111) surfaces using density functional theory that accounts for the on-site Coulomb interaction via a Hubbard term (DFT+U) and long-range dispersion correction. Both the molecular state and dissociative state (TMAA → TMA– + H +) were identified on stoichiometric and oxygen-deficient CeO 2(111) surfaces. For the stoichiometric surface, two thermodynamically favorable configurations with adsorption energies of the order of -30 kcal/mol are identified; one is a molecule adsorption state, and the other one is a dissociative state. For the oxygen-deficient surface, dissociative states are more favorable than molecular states.more » Moreover, the most favorable configuration is the dissociative adsorption of TMAA with the adsorption energy of the order of -77 kcal/mol. The dissociated TMA moiety takes the position of oxygen vacancy, forming three Ce–O bonds. The signature vibrational frequencies for these thermodynamically stable structures are reported as well as their electronic structures. The effects of long-range dispersion interactions are found to be negligible for geometries but important for adsorption energies.« less

Theoretical Study of Trimethylacetic Acid Adsorption on CeO 2 (111) Surface

DOE PAGES

Wang, Weina; Thevuthasan, S.; Wang, Wenliang; ...

2016-01-11

We investigated trimethylacetic acid (TMAA) adsorption on stoichiometric and oxygen-deficient CeO 2(111) surfaces using density functional theory that accounts for the on-site Coulomb interaction via a Hubbard term (DFT+U) and long-range dispersion correction. Both the molecular state and dissociative state (TMAA → TMA– + H +) were identified on stoichiometric and oxygen-deficient CeO 2(111) surfaces. For the stoichiometric surface, two thermodynamically favorable configurations with adsorption energies of the order of -30 kcal/mol are identified; one is a molecule adsorption state, and the other one is a dissociative state. For the oxygen-deficient surface, dissociative states are more favorable than molecular states.more » Moreover, the most favorable configuration is the dissociative adsorption of TMAA with the adsorption energy of the order of -77 kcal/mol. The dissociated TMA moiety takes the position of oxygen vacancy, forming three Ce–O bonds. The signature vibrational frequencies for these thermodynamically stable structures are reported as well as their electronic structures. The effects of long-range dispersion interactions are found to be negligible for geometries but important for adsorption energies.« less

Water adsorption on the Fe3O4(111) surface: dissociation and network formation.

PubMed

Zaki, Eman; Mirabella, Francesca; Ivars-Barceló, Francisco; Seifert, Jan; Carey, Spencer; Shaikhutdinov, Shamil; Freund, Hans-Joachim; Li, Xiaoke; Paier, Joachim; Sauer, Joachim

2018-06-13

We monitored adsorption of water on a well-defined Fe3O4(111) film surface at different temperatures as a function of coverage using infrared reflection-absorption spectroscopy, temperature programmed desorption, and single crystal adsorption calorimetry. Additionally, density functional theory was employed using a Fe3O4(111)-(2 × 2) slab model to generate 15 energy minimum structures for various coverages. Corresponding vibrational properties of the adsorbed water species were also computed. The results show that water molecules readily dissociate on regular surface Fetet1-O ion pairs to form "monomers", i.e., terminal Fe-OH and surface OH groups. Further water molecules adsorb on the hydroxyl covered surface non-dissociatively and form "dimers" and larger oligomers, which ultimately assemble into an ordered (2 × 2) hydrogen-bonded network structure with increasing coverage prior to the formation of a solid water film.

Classification of shiga toxin-producing escherichia coli (STEC) serotypes with hyperspectral microscope imagery

USDA-ARS?s Scientific Manuscript database

Non-O157:H7 Shiga toxin-producing Escherichia coli (STEC) strains such as O26, O45, O103, O111, O121 and O145 are recognized as serious outbreak to cause human illness due to their toxicity. Since a conventional microbiological method for cell counting is laborious and time-consuming process, optica...

Short communication: Behavior of different Shiga toxin-producing Escherichia coli serotypes (O26:H11, O103:H2, O145:H28, O157:H7) during the manufacture, ripening, and storage of a white mold cheese.

PubMed

Miszczycha, S D; Bel, N; Gay-Perret, P; Michel, V; Montel, M C; Sergentet-Thevenot, D

2016-07-01

Ruminants are healthy carriers of Shiga toxin-producing Escherichia coli (STEC). If good hygienic and agricultural practices at the farm level, especially during the milking process, are not adequately followed, milk and dairy products made with raw milk could become contaminated. Sporadic cases and rare food outbreaks have been linked with dairy products. Consequently, understanding STEC behavior in cheeses would help to evaluate risks for human health. The behavior of 4 different STEC strains belonging to the serotypes O26:H11, O103:H2, O145:H28, and O157:H7 were monitored during the manufacture, ripening, and storage of a white mold soft cheese. These strains, originating from dairy products, were inoculated individually in raw milk from cow at 10(2) cfu/mL. During the first 24 to 36h of the manufacturing stage, the STEC level increased by 2 to 3 log10 cfu/g. Over the course of the ripening stage, the concentration of the non-O157 STEC remained relatively constant, whereas a decrease of the E. coli O157:H7 concentration was observed. During the storage stage, the level of the different non-O157 STEC strains decreased slowly in the core and in the rind of cheeses. The non-O157 STEC level reached between 3.1 and 4.1 log10 cfu/g at d 56. Interestingly, the concentration of the E. coli O157:H7 strain decreased dramatically: the strains remained detectable only after enrichment. During ripening and storage, STEC levels were generally higher in rinds than in cheese cores. In contrast to what was seen in cheese cores, the E. coli O157:H7 strain remained enumerable in rinds during these steps. These results highlight that STEC can grow during the manufacture and survive during the ripening and storage of a white mold soft cheese. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Nucleation of graphene layers on magnetic oxides: Co 3O 4(111) and Cr 2O 3(0001) from theory and experiment

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

Beatty, John; Cheng, Tao; Cao, Yuan

We report directly grown strongly adherent graphene on Co 3O 4(111) by carbon molecular beam epitaxy (C MBE) at 850 K and density functional theory (DFT) findings that the first graphene layer is reconstructed to fit the Co 3O 4 surface, while subsequent layers retain normal graphene structure. This adherence to the Co 3O 4 structure results from partial bonding of half the carbons to top oxygens of the substrate. This structure is validated by X-ray photoelectron spectroscopy and low-energy electron diffraction studies, showing layer-by-layer graphene growth with ~0.08 electrons/carbon atom transferred to the oxide from the first graphene layer,more » in agreement with DFT. In contrast, for Cr 2O 3 DFT finds no strong bonding to the surface and C MBE on Cr 2O 3(0001) yields only graphite formation at 700 K, with C desorption above 800 K. As a result, strong graphene-to-oxide charge transfer aids nucleation of graphene on incommensurate oxide substrates and may have implications for spintronics.« less

Nucleation of graphene layers on magnetic oxides: Co 3O 4(111) and Cr 2O 3(0001) from theory and experiment

DOE PAGES

Beatty, John; Cheng, Tao; Cao, Yuan; ...

2016-12-14

We report directly grown strongly adherent graphene on Co 3O 4(111) by carbon molecular beam epitaxy (C MBE) at 850 K and density functional theory (DFT) findings that the first graphene layer is reconstructed to fit the Co 3O 4 surface, while subsequent layers retain normal graphene structure. This adherence to the Co 3O 4 structure results from partial bonding of half the carbons to top oxygens of the substrate. This structure is validated by X-ray photoelectron spectroscopy and low-energy electron diffraction studies, showing layer-by-layer graphene growth with ~0.08 electrons/carbon atom transferred to the oxide from the first graphene layer,more » in agreement with DFT. In contrast, for Cr 2O 3 DFT finds no strong bonding to the surface and C MBE on Cr 2O 3(0001) yields only graphite formation at 700 K, with C desorption above 800 K. As a result, strong graphene-to-oxide charge transfer aids nucleation of graphene on incommensurate oxide substrates and may have implications for spintronics.« less

Characterization of free lytic bacteriophages isolated from compost against O145 Shiga toxin-producing Escherichia coli (STEC) as a potential biocontrol agent

USDA-ARS?s Scientific Manuscript database

Shiga toxin-producing E. coli (STEC), one of the most prevalent foodborne pathogens, are notorious for hemolytic uremic syndrome (HUS) and causing high mortality among children and the elder population after infection. Besides O157 STEC, non-O157 STEC—particularly serogroup O145—is commonly associat...

THz and Ft-Ir Study of 18-O Isotopologues of Sulfur Dioxide: 32S16O18O and 32S18O_2

NASA Astrophysics Data System (ADS)

Margulès, L.; Motiyenko, R. A.; Demaison, J.; Perrin, Agnes; Kwabia Tchana, F.; Manceron, Laurent

2016-06-01

Sulfur dioxide is a molecule that have a great interest in different domains: for atmospheric and planetology chemistry, it is also ubiquitous and abundant in interstellar medium. If the 16O species were extensively studied, this is not the case of the 18O isotopologues. The aim of this study is first to complete the rotational spectra of the ground state with these new measurements up to 1.5 THz, previous measurements are up to 1050 GHz for the 32S16O18O species, and 145 GHz concerning the 32S18O_2 species. The second part is making a global fit of the rotational and vibrational transitions for the excited vibrational states. For the v_2 band, we will complete the recent I.R. analysis. About the triad (v_1, 2v_2, v_3): 32S18O_2 species was studied, but not the 32S16O18O one. and 145 GHz concerning the 32S18O_2 species. The second part is making a global fit of the rotational and vibrational transitions for the excited vibrational states. For the v_2 band, we will complete the recent I.R. analysis. About the triad (v_1, 2v_2, v_3): 32S18O_2 species was studied, but not the 32S16O18O one. The FT-IR spectra were recorded on the AILES Beamline at Synchrotron SOLEIL using the Synchrotron light source, coupled to the Bruker IFS125HR Fourier transform spectrometer. The THz spectra were obtained from 150 to 1500 GHz using the Lille's solid state spectrometer. The analysis is in progress, the latest results will be presented. Support from the French Laboratoire d'Excellence CaPPA (Chemical and Physical Properties of the Atmosphere) through contract ANR-10-LABX-0005 of the Programme d'Investissements d'Avenir is acknowledged Belov, S. P.; et al., 1998, J. Mol. Spectrosc. 191, 17 Lindermayer, J.; et al., 1985, J. Mol. Spectrosc. 110, 357 Gueye, F.; et al. Mol. Phys. in press Ulenikov, O. N.; et al., 2015, JQSRT 166, 13 Brubach, J.; et al., 2010, AIP Conf. Proc. 1214, 81 Zakharenko, O.; et al., 2015, J. Mol. Spectrosc. 317, 41

Evaluation of a multiplex real-time PCR method for detecting Shiga toxin-producing Escherichia coli in beef and comparison to the FSIS microbiology laboratory guidebook method

USDA-ARS?s Scientific Manuscript database

The “top-six” non-O157 STEC (O26, O45, O103, O111, O121, and O145) most frequently associated with outbreaks and cases of food-borne illnesses have been declared as adulterants in beef by the USDA Food Safety and Inspection Service (FSIS), and regulatory testing for these serogroups in beef began in...

The nature of the Pt(111)/α -Fe2O3(0001) interfaces revealed by DFT calculations

NASA Astrophysics Data System (ADS)

Mahmoud, Agnes; Deleuze, Pierre-Marie; Dupont, Céline

2018-05-01

Density functional theory calculations are performed to give a thorough description of structural, energetic, and electronic properties of Pt(111)/α-Fe2O3(0001) systems by spin-polarized calculations, accounting for the on-site Coulomb interaction. Toward the better understanding of Pt(111)/α-Fe2O3(0001) interfaces, two terminations of α-Fe2O3(0001) surface, namely, the single Fe- and the O3-termination, are considered and coupled with the four possible (top, hcp, fcc, and bridge) sites on Pt(111). The effect of the strain on clean hematite surfaces due to the lattice mismatch between the substrate and the overlayer is included in the analysis. Among the possible adsorption configurations, bridge sites are unstable, while the most favorable configurations are the ones at hollow sites. The stability of the interfaces is not only influenced by the termination of the overlayer but also influenced by the degree of its structural relaxation and the relative position of the first layer of O atoms in hematite with respect to Pt. To elucidate the different nature of the two terminations of the overlayer on Pt, projected density of states and 3D charge density difference plots are also discussed.

A density functional theory study of CO oxidation on CuO1-x(111).

PubMed

Yang, Bing-Xing; Ye, Li-Ping; Gu, Hui-Jie; Huang, Jin-Hua; Li, Hui-Ying; Luo, Yong

2015-08-01

The surface structures, CO adsorption, and oxidation-reaction properties of CuO1-x(111) with different reduction degree have been investigated by using density functional theory including on-site Coulomb corrections (DFT + U). Results indicate that the reduction of Cu has a great influence on the adsorption of CO. Electron localization caused by the reduction turns Cu(2+) to Cu(+), which interacts much stronger with CO, and the adsorption strength of CO is related to the electronic interaction with the substrate as well as the structural relaxation. In particular, the electronic interaction is proved to be the decisive factor. The surfaces of CuO1-x(111) with different reduction degree all have good adsorption to CO. With the expansion of the surface reduction degree, the amount of CO that is stably adsorbed on the surface increases, while the number of surface active lattice O decreases. In general, the activity of CO oxidation first rises and then declines.

Elementary surface chemistry during CuO/Al nanolaminate-thermite synthesis: copper and oxygen deposition on aluminum (111) surfaces.

PubMed

Lanthony, Cloé; Guiltat, Mathilde; Ducéré, Jean Marie; Verdier, Agnes; Hémeryck, Anne; Djafari-Rouhani, Mehdi; Rossi, Carole; Chabal, Yves J; Estève, Alain

2014-09-10

The surface chemistry associated with the synthesis of energetic nanolaminates controls the formation of the critical interfacial layers that dominate the performances of nanothermites. For instance, the interaction of Al with CuO films or CuO with Al films needs to be understood to optimize Al/CuO nanolaminates. To that end, the chemical mechanisms occurring during early stages of molecular CuO adsorption onto crystalline Al(111) surfaces are investigated using density functional theory (DFT) calculations, leading to the systematic determination of their reaction enthalpies and associated activation energies. We show that CuO undergoes dissociative chemisorption on Al(111) surfaces, whereby the Cu and O atoms tend to separate from each other. Both Cu and O atoms form islands with different properties. Copper islanding fosters Cu insertion (via surface site exchange mechanism) into the subsurface, while oxygen islands remain stable at the surface. Above a critical local oxygen coverage, aluminum atoms are extracted from the Al surface, leading to oxygen-aluminum intermixing and the formation of aluminum oxide (γ-alumina). For Cu and O co-deposition, copper promotes oxygen-aluminum interaction by oxygen segregation and separates the resulting oxide from the Al substrate by insertion into Al and stabilization below the oxide front, preventing full mixing of Al, Cu, and O species.

Phase relations in the pseudo ternary system In2O3-TiO2-BO (B: Zn, Co and Ni) at 1200 °C in air

NASA Astrophysics Data System (ADS)

Brown, Francisco; Jacobo-Herrera, Ivan Edmundo; Alvarez-Montaño, Victor Emmanuel; Kimizuka, Noboru; Hirano, Tomonosuke; Sekine, Ryotaro; Denholme, Saleem J.; Miyakawa, Nobuaki; Kudo, Akihiko; Iwase, Akihide; Michiue, Yuichi

2018-02-01

Phase relations in the pseudo ternary systems In2O3-TiO2-ZnO, In2O3-TiO2-CoO and In2O3-TiO2-NiO at 1200 °C in air were determined by means of a classic quenching method. In6Ti6BO22 (B: Zn, Co and Ni) which has the monoclinic In(Fe1/4Ti3/4)O27/8-type of structure with a 4-dimensional super space group exists in a stable form. There exist homologous phases In1+x(Ti1/2Zn1/2)1-xO3(ZnO)m (m: natural number, 0O3(ZnO)m-type of the layered crystal structures such as In1+x(Ti1/2Zn1/2)1-xO3(ZnO) (0.12 ≤ x ≤ 0.29), In1+x(Ti1/2Zn1/2)1-x(ZnO)2 (0.12 ≤ x ≤ 0.50), In1+x(Ti1/2Zn1/2)1-xO3(ZnO)3 (0.15 ≤ x ≤ 0.84), In1+x(Ti1/2Zn1/2)1-x(ZnO)4 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-xO3(ZnO)5 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-x(ZnO)6 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-xO3(ZnO)7 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-x(ZnO)8 (?1/2)1-xO3(ZnO)9 (0.15 ≤ x ≤ 1), In1+x(Ti1/2Zn1/2)1-x(ZnO)10 (?1/2)1-xO3(ZnO)11 (0.15 ≤ x ≤ 1)… without an upper limit of m in the pseudo ternary system In2O3-TiO2-ZnO. All the ions are on the trigonal lattice points, the In(III) is in the octahedral coordination with the oxygen and the {Inx(Ti1/2Zn1/2)1-xZnm} is in the trigonalbipyramidal coordination with oxygen in the crystal structures of each homologous compound. They have R 3 bar m (No. 166) for m = odd or P63/mmc (No. 194) for m = even in space group. Lattice constants for each of the homologous compounds as a hexagonal setting and In6Ti6BO22 as the monoclinic system were determined by means of the powder X-ray diffraction method at room temperature. The temperature dependence of resistivity for In1+x(Ti1/2Zn1/2)1-x(ZnO)4 (0.15 ≤ x ≤ 1) showed semiconducting-like behavior for all samples examined at T(K) = 2-300. The resistivity increased systematically with decreasing x (0.7 ≤ x ≤ 1), and it was found that samples where x ≤ 0.7 became insulators. The optical band gap Eg (eV) of In1+x(Ti1/2Zn

Structure, magnetic ordering, and spin filtering efficiency of NiFe{sub 2}O{sub 4}(111) ultrathin films

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

Matzen, S.; Moussy, J.-B., E-mail: jean-baptiste.moussy@cea.fr; Wei, P.

2014-05-05

NiFe{sub 2}O{sub 4}(111) ultrathin films (3–5 nm) have been grown by oxygen-assisted molecular beam epitaxy and integrated as effective spin-filter barriers. Structural and magnetic characterizations have been performed in order to investigate the presence of defects that could limit the spin filtering efficiency. These analyses have revealed the full strain relaxation of the layers with a cationic order in agreement with the inverse spinel structure but also the presence of antiphase boundaries. A spin-polarization up to +25% has been directly measured by the Meservey-Tedrow technique in Pt(111)/NiFe{sub 2}O{sub 4}(111)/γ-Al{sub 2}O{sub 3}(111)/Al tunnel junctions. The unexpected positive sign and relatively small valuemore » of the spin-polarization are discussed, in comparison with predictions and previous indirect tunnelling magnetoresistance measurements.« less

Single-layer TiO x reconstructions on SrTiO 3 (111): (√7 × √7)R19.1°, (√13 × √13)R13.9°, and related structures

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

Andersen, Tassie K.; Wang, Shuqiu; Castell, Martin R.

The atomic structures of two reconstructions, (√7 × √7)R19.1° and (√13 × √13)R13.9°, on the SrTiO 3 (111) surface were determined using a combination of density functional theory and scanning tunneling microscopy data and simulations. The combination of these methods allows for potential surface structures to be generated and verified in the absence of diffraction data, providing another tool for solving surface reconstructions. These reconstructions belong to the same stoichiometric, nSrTiO 3 • mTiO 2, structural family made up of an interconnected, single layer of edge-sharing TiO 6 and TiO 5[] octahedra. This family is found to include the previously-solvedmore » (2 × 2)a reconstruction as its smallest unit-cell sized member and serves as a tool for better understanding and predicting the structure of other reconstructions of arbitrary surface unit-cell size on SrTiO 3 (111). This reconstruction family and the calculations of surface energies for different hypothesis structures also shed light on the structure of Schottky defects observed on these reconstructed SrTO 3 (111) surfaces.« less

Ultrahigh vacuum dc magnetron sputter-deposition of epitaxial Pd(111)/Al2O3(0001) thin films.

PubMed

Aleman, Angel; Li, Chao; Zaid, Hicham; Kindlund, Hanna; Fankhauser, Joshua; Prikhodko, Sergey V; Goorsky, Mark S; Kodambaka, Suneel

2018-05-01

Pd(111) thin films, ∼245 nm thick, are deposited on Al 2 O 3 (0001) substrates at ≈0.5 T m , where T m is the Pd melting point, by ultrahigh vacuum dc magnetron sputtering of Pd target in pure Ar discharges. Auger electron spectra and low-energy electron diffraction patterns acquired in situ from the as-deposited samples reveal that the surfaces are compositionally pure 111-oriented Pd. Double-axis x-ray diffraction (XRD) ω-2θ scans show only the set of Pd 111 peaks from the film. In triple-axis high-resolution XRD, the full width at half maximum intensity Γ ω of the Pd 111 ω-rocking curve is 630 arc sec. XRD 111 pole figure obtained from the sample revealed six peaks 60°-apart at a tilt angles corresponding to Pd 111 reflections. XRD ϕ scans show six 60°-rotated 111 peaks of Pd at the same ϕ angles for 11[Formula: see text]3 of Al 2 O 3 based on which the epitaxial crystallographic relationships between the film and the substrate are determined as [Formula: see text]ǁ[Formula: see text] with two in-plane orientations of [Formula: see text]ǁ[Formula: see text] and [Formula: see text]ǁ[Formula: see text]. Using triple axis symmetric and asymmetric reciprocal space maps, interplanar spacings of out-of-plane (111) and in-plane (11[Formula: see text]) are found to be 0.2242 ± 0.0003 and 0.1591 ± 0.0003 nm, respectively. These values are 0.18% lower than 0.2246 nm for (111) and the same, within the measurement uncertainties, as 0.1588 nm for (11[Formula: see text]) calculated from the bulk Pd lattice parameter, suggesting a small out-of-plane compressive strain and an in-plane tensile strain related to the thermal strain upon cooling the sample from the deposition temperature to room temperature. High-resolution cross-sectional transmission electron microscopy coupled with energy dispersive x-ray spectra obtained from the Pd(111)/Al 2 O 3 (0001) samples indicate that the Pd-Al 2 O 3 interfaces are essentially atomically abrupt and

Modifying ceria (111) with a TiO2 nanocluster for enhanced reactivity.

PubMed

Nolan, Michael

2013-11-14

Modification of ceria catalysts is of great interest for oxidation reactions such as oxidative dehydrogenation of alcohols. Improving the reactivity of ceria based catalysts for these reactions means that they can be run at lower temperatures and density functional theory (DFT) simulations of new structures and compositions are proving valuable in the development of these catalysts. In this paper, we have used DFT+U (DFT corrected for on-site Coulomb interactions) to examine the reactivity of a novel modification of ceria, namely, modifying with TiO2, using the example of a Ti2O4 species adsorbed on the ceria (111) surface. The oxygen vacancy formation energy in the Ti2O4-CeO2 system is significantly reduced over the bare ceria surfaces, which together with previous work on ceria-titania indicates that the presence of the interface favours oxygen vacancy formation. The energy gain upon hydrogenation of the catalyst, which is the rate determining step in oxidative dehydrogenation, further points to the improved oxidation power of this catalyst structure.

First-principles study of graphene under c-HfO{sub 2}(111) layers: Electronic structures and transport properties

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

Kaneko, Tomoaki, E-mail: kaneko@flex.phys.tohoku.ac.jp; Materials Research Consortium for Energy Efficient Electronic Devices; Ohno, Takahisa, E-mail: OHNO.Takahisa@nims.go.jp

2016-08-22

We investigated the electronic properties, stability, and transport of graphene under c-HfO{sub 2}(111) layers by performing first-principles calculations with special attention to the chemical bonding between graphene and HfO{sub 2} surfaces. When the interface of HfO{sub 2}/graphene is terminated by an O layer, the linear dispersion of graphene is preserved and the degradation of transport is suppressed. For other interface structures, HfO{sub 2} is tightly adsorbed on graphene and the transport is strictly limited. In terms of the stability of the interface structures, an O-terminated interface is preferable, which is achieved under an O-deficient condition.

Evaluation of the performance of the IQ-check kits and the USDA microbiology laboratory guidebook methods for detection of Shiga Toxin-Producing E. coli (STEC) and STEC and Salmonella simultaneously in ground beef

USDA-ARS?s Scientific Manuscript database

Aims: To evaluate the performance of the IQ-Check kits and the USDA Microbiology Laboratory Guidebook (MLG) methods for detection of the top 7 Shiga toxin-producing E. coli (STEC) (O157:H7, O26, O45, O103, O111, O121, and O145) in ground beef and both STEC and Salmonella in co-inoculated samples. M...

Unraveling the oxygen vacancy structures at the reduced Ce O2(111 ) surface

NASA Astrophysics Data System (ADS)

Han, Zhong-Kang; Yang, Yi-Zhou; Zhu, Beien; Ganduglia-Pirovano, M. Verónica; Gao, Yi

2018-03-01

Oxygen vacancies at ceria (Ce O2 ) surfaces play an essential role in catalytic applications. However, during the past decade, the near-surface vacancy structures at Ce O2(111 ) have been questioned due to the contradictory results from experiments and theoretical simulations. Whether surface vacancies agglomerate, and which is the most stable vacancy structure for varying vacancy concentration and temperature, are being heatedly debated. By combining density functional theory calculations and Monte Carlo simulations, we proposed a unified model to explain all conflicting experimental observations and theoretical results. We find a novel trimeric vacancy structure which is more stable than any other one previously reported, which perfectly reproduces the characteristics of the double linear surface oxygen vacancy clusters observed by STM. Monte Carlo simulations show that at low temperature and low vacancy concentrations, vacancies prefer subsurface sites with a local (2 × 2) ordering, whereas mostly linear surface vacancy clusters do form with increased temperature and degree of reduction. These results well explain the disputes about the stable vacancy structure and surface vacancy clustering at Ce O2(111 ) , and provide a foundation for the understanding of the redox and catalytic chemistry of metal oxides.

Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

NASA Technical Reports Server (NTRS)

Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

2013-01-01

We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

Strong piezoelectric anisotropy d15/d33 in ⟨111⟩ textured Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 ceramics

NASA Astrophysics Data System (ADS)

Yan, Yongke; Priya, Shashank

2015-08-01

The shear mode piezoelectric properties of Pb(Mg1/3Nb2/3)O3-Pb(Zr,Ti)O3 (PMN-PZT) ceramic with 72% ⟨111⟩ texture were investigated. The piezoelectric anisotropic factor d15/d33 was as high as 8.5 in ⟨111⟩ textured ceramic as compared to 2.0 in random counterpart. The high d15/d33 indicates the "rotator" ferroelectric characteristics of PMN-PZT system and suggests that the large shear piezoelectric response contributes towards the high longitudinal piezoelectric response (d33) in non-polar direction (d33 = 1100 pC/N in ⟨001⟩ textured ceramic vs. d33 = 112 pC/N in ⟨111⟩ textured ceramic).

Enantiospecific electrodeposition of chiral CuO films on single-crystal Cu(111).

PubMed

Bohannan, Eric W; Kothari, Hiten M; Nicic, Igor M; Switzer, Jay A

2004-01-21

Epitaxial films of monoclinic CuO have been electrodeposited on single-crystal Cu(111) from solutions containing either (S,S)- or (R,R)-tartrate. X-ray pole figure analysis reveals that the CuO film grown from (S,S)-tartrate exhibits a (1) out-of-plane orientation while the film grown from (R,R)-tartrate has a (11) orientation. Even though CuO does not crystallize within a chiral space group, the orientations obtained exhibit a surface chirality similar to that obtained from high index fcc metal surfaces. The films were shown to be enantioselective toward the catalytic oxidation of tartrate molecules by cyclic voltammetry. The technique should prove to be applicable to the electrodeposition of chiral surfaces of other low-symmetry materials on achiral substrates and should prove to be of use to those interested in the synthesis, separation, and detection of chiral molecules.

Electrochemical and physical properties of electroplated CuO thin films.

PubMed

Dhanasekaran, V; Mahalingam, T

2013-01-01

Cupric oxide thin films have been prepared on ITO glass substrates from an aqueous electrolytic bath containing CuSO4 and tartaric acid. Growth mechanism has been analyzed using cyclic voltammetry. The role of pH on the structural, morphological, compositional, electrical and optical properties of CuO films is investigated. The structural studies revealed that the deposited films are polycrystalline in nature with a cubic structure. The preferential orientation of CuO thin films is found to be along (111) plane. X-ray line profile analysis has been carried out to determine the microstructural parameters of CuO thin films. The pyramid shaped grains are observed from SEM and AFM images. The optical band gap energy and electrical activation energy is found to be 1.45 and 0.37 eV, respectively. Also, the optical constants of CuO thin films such as refractive index (n), complex dielectric constant (epsilon) extinction coefficient (k) and optical conductivity (sigma) are evaluated.

Complete Genome Sequence of an Escherichia coli O121:H19 Strain from an Outbreak in Canada Associated with Flour

PubMed Central

Robertson, James; Lin, Janet; Levett, Paul N.; Nadon, Celine; Nash, John

2018-01-01

ABSTRACT Here, we present the first complete genome sequence of an Escherichia coli non-O157 Shiga-toxin producing isolate, 16-9255, from serotype O121:H19. This strain is notable as a clinical case recovered from a recent Canadian flour-associated outbreak event. PMID:29371368

Growth of non-0157:H7 shiga-toxin producing Escherichia coli on catfish fillets

USDA-ARS?s Scientific Manuscript database

Shiga-toxin producing Escherichia coli (STECs) are emerging pathogens which have been involved in numerous foodborne illness outbreaks. In this study the ability of a multi-isolate cocktail of STEC serovars O26:H11, O45:H2, O103:H2, O111:NM, O121:H19, and O145:RM to grow on catfish fillets at refri...

Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

DOE PAGES

Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.; ...

2017-11-21

Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

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

Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.

Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

Towards a Molecular Definition of Enterohemorrhagic Escherichia coli (EHEC): Detection of Genes Located on O Island 57 as Markers To Distinguish EHEC from Closely Related Enteropathogenic E. coli Strains

PubMed Central

Delannoy, Sabine; Beutin, Lothar

2013-01-01

Among strains of Shiga-toxin (Stx) producing Escherichia coli (STEC), seven serogroups (O26, O45, O103, O111, O121, O145, and O157) are associated with severe clinical illness in humans. These strains are also called enterohemorrhagic E. coli (EHEC), and the development of methods for their reliable detection from food has been challenging thus far. PCR detection of major EHEC virulence genes stx1, stx2, eae, and O-serogroup-specific genes is useful but does not identify EHEC strains specifically. Searching for the presence of additional genes issued from E. coli O157:H7 genomic islands OI-122 and OI-71 increases the specificity but does not clearly discriminate EHEC from enteropathogenic E. coli (EPEC) strains. Here, we identified two putative genes, called Z2098 and Z2099, from the genomic island OI-57 that were closely associated with EHEC and their stx-negative derivative strains (87% for Z2098 and 91% for Z2099). Z2098 and Z2099 were rarely found in EPEC (10% for Z2098 and 12% for Z2099), STEC (2 and 15%), and apathogenic E. coli (1% each) strains. Our findings indicate that Z2098 and Z2099 are useful genetic markers for a more targeted diagnosis of typical EHEC and new emerging EHEC strains. PMID:23325824

Epidemiological analysis of a large enterohaemorrhagic Escherichia coli O111 outbreak in Japan associated with haemolytic uraemic syndrome and acute encephalopathy.

PubMed

Yahata, Y; Misaki, T; Ishida, Y; Nagira, M; Watahiki, M; Isobe, J; Terajima, J; Iyoda, S; Mitobe, J; Ohnishi, M; Sata, T; Taniguchi, K; Tada, Y; Okabe, N

2015-10-01

A large outbreak of enterohaemorrhagic Escherichia coli (EHEC) O111 and O157 occurred in Japan in April 2011. We conducted an unmatched case-control study and trace-back investigation to determine the source of EHEC O111 infection and risk factors for severe complications. Pulsed-field gel electrophoresis was performed to help define cases. A total of 86 individuals met the case definition. Of these, 40% experienced haemolytic uraemic syndrome (HUS), 24% acute encephalopathy, and 6% died. Illness was significantly associated with eating the raw beef dish yukhoe (odds ratio 19·64, 95% confidence interval 7·03-54·83), the likely food vehicle. EHEC O111 and its closely related stx-negative variants were found in the beef. HUS occurred most frequently in individuals aged 5-9 years, and this age group was significantly associated with acute encephalopathy. The prevalence of HUS and acute encephalopathy was higher than in previous non-O157-related outbreaks, indicating a high risk of severe complications.

Detection and isolation of the "Top 7" Shiga toxin-producing Escherichia coli in ground beef: comparison of the Rapidfinder kits to the USDA microbiology laboratory guidebook method

USDA-ARS?s Scientific Manuscript database

Shiga toxin-producing E. coli (STEC) O157:H7 and serogroups O26, O45, O103, O111, O121, and O145 are often referred to as the “top 7” STEC, and these have been declared as adulterants in beef by the USDA Food Safety and Inspection Service (FSIS). The aim of this work was to compare the methods des...

Cross-sectional study to estimate the prevalence of enterohaemorrhagic Escherichia coli on hides of market beef cows at harvest.

PubMed

Schneider, L G; Stromberg, Z R; Lewis, G L; Moxley, R A; Smith, D R

2018-03-25

Cattle hides are an important source of enterohaemorrhagic Escherichia coli (EHEC) carcass contamination at slaughter. Seven EHEC serogroups are adulterants in raw, non-intact beef: EHEC O26, O45, O103, O111, O121, O145 and O157. The objective of this study was to estimate the probability for hide contamination with EHEC among US market beef cows at slaughter and to test the effects of season and geographic region on prevalence of hide contamination. Hides (n = 800) of market cows were swabbed at slaughter immediately after exsanguination, prior to hide removal. Cows were sampled from two geographically distinct beef packing plants during four seasons of 2015. Cattle source was categorized by northern or southern region. Samples were tested for EHEC by a molecular screening assay. The effects of region, season and their interaction on the probability of hide contamination by each EHEC serogroup were tested in separate multilevel multivariable logistic regression models, accounting for the random effect of clustering by plant. Statistical significance was set α = .05. Of 800 total samples, at least one EHEC was detected on 630 (79%) hides. Enterohaemorrhagic E. coli O26 was detected on 129 (16%) of all hides sampled, EHEC O45 on 437 (55%), EHEC O103 on 289 (36%), EHEC O111 on 189 (24%), EHEC O121 on 140 (18%), EHEC O145 on 171 (21%) and EHEC O157 on 89 (11%). Detection of EHEC O26 and EHEC O121 was associated with season. Season and region were associated with detecting EHEC O45 and EHEC O157. Season-by-region interactions were associated with the outcome of detecting EHEC O103, EHEC O111 and EHEC O145. Season, region of origin and the interaction of these factors affect hide contamination of market beef cattle at slaughter by EHEC, and each serogroup responds to these factors uniquely. © 2018 Blackwell Verlag GmbH.

Incidence of Shiga toxin-producing Escherichia coli strains in beef, pork, chicken, deer, boar, bison, and rabbit retail meat.

PubMed

Magwedere, Kudakwashe; Dang, Huu Anh; Mills, Edward W; Cutter, Catherine N; Roberts, Elisabeth L; DeBroy, Chitrita

2013-03-01

The objective of the current study was to determine the incidence of contamination by the top 7 Shiga toxin-producing Escherichia coli (STEC) O-groups, responsible for the majority of E. coli infections in human beings, in retail meat from different animal species. Samples from ground beef (n = 51), ground pork (n = 16), ground chicken (n = 16), and game meat (deer, wild boar, bison, and rabbit; n = 55) were collected from retail vendors for the detection of 7 STEC O-groups (O26, O45, O103, O111, O121, O145, and O157). Meat samples were tested by using a multiplex polymerase chain reaction assay targeting the wzx gene of O antigen gene clusters of the 7 STEC O-groups. The positive samples were further tested for Shiga toxin genes (stx1 and stx2). Out of a total of 83 ground beef, pork, and chicken samples, 17 (20%) carried O121, 9 (10%) carried O45, 8 (9%) carried O157, 3 (3%) carried O103, and 1 (1%) carried O145. None of the samples were positive for O26, O111, or the stx gene. All 3 white-tailed deer samples (100%) were positive for O45, O103, or both, 2 (10%) out of 20 red deer samples exhibited the presence of O103, and all 3 bison samples were contaminated with either O121, O145, or O157. One sample from ground deer, contaminated with E. coli O45, carried the stx1 gene. This preliminary investigation illustrates the importance of microbiological testing of pathogens in meat products, as well as the recognized need for increased surveillance and research on foodborne pathogens.

Microwave properties of epitaxial (111)-oriented Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} thin films on Al{sub 2}O{sub 3}(0001) up to 40 GHz

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

Yang Lihui; UMR CNRS 8520, IEMN-DOAE-MIMM Team, Bat. P3, Cite Scientifique, Villeneuve d'Ascq, 59655 Lille; Ponchel, Freddy

2010-10-18

Perovskite Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3} (BST) thin films have been grown on Al{sub 2}O{sub 3}(0001) substrates without/with inserting an ultrathin TiO{sub x} seeding layer by rf magnetron sputtering. X-ray diffraction and pole figure studies reveal that the film with the TiO{sub x} layer (12-A-thick) is highly oriented along the (111) direction and exhibits a good in-plane relationship of BST(111)||Al{sub 2}O{sub 3}(0001). The high frequency dielectric measurements demonstrate that the complex permittivity ({epsilon}={epsilon}{sup '}-j{epsilon}{sup ''}) is well described by a Curie-von Scheidler dispersion with an exponent of 0.40. The resulting epitaxial BST films show high permittivity ({approx}428) and tunability ({approx}41%, atmore » 300 kV/cm and 40 GHz) and their microwave properties (1-40 GHz) potentially could be made suitable for tunable devices.« less

Single Crystalline Co3O4 Nanocrystals Exposed with Different Crystal Planes for Li-O2 Batteries

PubMed Central

Su, Dawei; Dou, Shixue; Wang, Guoxiu

2014-01-01

Single crystalline Co3O4 nanocrystals exposed with different crystal planes were synthesised, including cubic Co3O4 nanocrystals enclosed by {100} crystal planes, pseudo octahedral Co3O4 enclosed by {100} and {110} crystal planes, Co3O4 nanosheets exposed by {110} crystal planes, hexagonal Co3O4 nanoplatelets exposed with {111} crystal planes, and Co3O4 nanolaminar exposed with {112} crystal planes. Well single crystalline features of these Co3O4 nanocrystals were confirmed by FESEM and HRTEM analyses. The electrochemical performance for Li-O2 batteries shows that Co3O4 nanocrystals can significantly reduce the discharge-charge over-potential via the effect on the oxygen evolution reaction (OER). From the comparison on their catalytic performances, we found that the essential factor to promote the oxygen evolution reactions is the surface crystal planes of Co3O4 nanocrystals, namely, crystal planes-dependent process. The correlation between different Co3O4 crystal planes and their effect on reducing charge-discharge over-potential was established: {100} < {110} < {112} < {111}. PMID:25169737

Single crystalline Co3O4 nanocrystals exposed with different crystal planes for Li-O2 batteries.

PubMed

Su, Dawei; Dou, Shixue; Wang, Guoxiu

2014-08-29

Single crystalline Co3O4 nanocrystals exposed with different crystal planes were synthesised, including cubic Co3O4 nanocrystals enclosed by {100} crystal planes, pseudo octahedral Co3O4 enclosed by {100} and {110} crystal planes, Co3O4 nanosheets exposed by {110} crystal planes, hexagonal Co3O4 nanoplatelets exposed with {111} crystal planes, and Co3O4 nanolaminar exposed with {112} crystal planes. Well single crystalline features of these Co3O4 nanocrystals were confirmed by FESEM and HRTEM analyses. The electrochemical performance for Li-O2 batteries shows that Co3O4 nanocrystals can significantly reduce the discharge-charge over-potential via the effect on the oxygen evolution reaction (OER). From the comparison on their catalytic performances, we found that the essential factor to promote the oxygen evolution reactions is the surface crystal planes of Co3O4 nanocrystals, namely, crystal planes-dependent process. The correlation between different Co3O4 crystal planes and their effect on reducing charge-discharge over-potential was established: {100} < {110} < {112} < {111}.

Identification and Characterization of Ana o 3 Modifications on Arginine-111 Residue in Heated Cashew Nuts.

PubMed

Mattison, Christopher P; Grimm, Casey C; Li, Yichen; Chial, Heidi J; McCaslin, Darrell R; Chung, Si-Yin; Bren-Mattison, Yvette; Wasserman, Richard L

2017-01-18

Raw and roasted cashew nut extracts were evaluated for protein modifications by mass spectrometry. Independent modifications on the Arg-111 residue of Ana o 3 were observed in roasted but not raw cashew nuts. The mass changes of 72.0064 or 53.9529 Da are consistent with the formation of carboxyethyl and hydroimidazolone modifications at the Arg-111 residue. These same modifications were observed in Ana o 3 purified from roasted but not raw cashew nuts, albeit at a relatively low occurrence. Circular dichroism indicated that Ana o 3 purified from raw and roasted cashew nuts had similar secondary structure, and dynamic light scattering analysis indicated there was no observable difference in particle size. The stability of Ana o 3 purified from raw and roasted cashew nuts to trypsin was similar in the absence of or following treatment with a reducing agent. Only minor differences in IgE binding to Ana o 3 were observed by ELISA among a cohort of cashew-allergic patient sera.

Tailoring the electronic transitions of NdNiO{sub 3} films through (111){sub pc} oriented interfaces

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

Catalano, S., E-mail: sara.catalano@unige.ch; Gibert, M.; Zubko, P.

2015-06-01

Bulk NdNiO{sub 3} and thin films grown along the pseudocubic (001){sub pc} axis display a 1st order metal to insulator transition (MIT) together with a Néel transition at T = 200 K. Here, we show that for NdNiO{sub 3} films deposited on (111){sub pc} NdGaO{sub 3}, the MIT occurs at T = 335 K and the Néel transition at T = 230 K. By comparing transport and magnetic properties of layers grown on substrates with different symmetries and lattice parameters, we demonstrate a particularly large tuning when the epitaxy is realized on (111){sub pc} surfaces. We attribute this effect tomore » the specific lattice matching conditions imposed along this direction when using orthorhombic substrates.« less

Influence of Season and Feedlot Location on Prevalence and Virulence Factors of Seven Serogroups of Escherichia coli in Feces of Western-Canadian Slaughter Cattle

PubMed Central

Johnson, Roger P.; Alexander, Trevor W.; McAllister, Tim A.; Reuter, Tim

2016-01-01

Pooled feces collected over two years from 1749 transport trailers hauling western-Canadian slaughter cattle were analysed by PCR for detection of Escherichia coli serogroups O26, O45, O103, O111, O121, O145, and O157. Sequential immunomagnetic separation was then used to collect bacterial isolates (n = 1035) from feces positive for target serogroups. Isolated bacteria were tested by PCR to confirm serogroup and the presence of eae, ehxA, stx1, and stx2 virulence genes. Based on PCR screening, serogroup prevalence in feces ranged from 7.0% (O145) to 94.4% (O103) with at least 3 serogroups present in 79.5% of samples. Origin of cattle affected serogroup PCR prevalence and O157 was most prevalent in feces from south-west Alberta (P < 0.001). All serogroups demonstrated seasonal variations in PCR prevalence, with O26, O45, O103, O121, and O157 least prevalent (P < 0.001) in cooler winter months, while uncommon serogroups O111 and O145 increased in prevalence during winter (P < 0.001). However, isolates collected during winter were predominantly from serogroups O103 and O45. No seasonal variation was noted in proportion of isolates which were Shiga toxin containing E. coli (STEC; P = 0.18) or positive for Shiga toxin and eae (enterohemorrhagic E. coli; EHEC; P = 0.29). Isolates of serogroups O111, O145, and O157 were more frequently EHEC than were others, although 37.6–54.3% of isolates from other serogroups were also EHEC. Shiga-toxin genes present also varied by geographic origin of cattle (P < 0.05) in all serogroups except O157. As cattle within feedlots are sourced from multiple regions, locational differences in serogroup prevalence and virulence genes imply existence of selection pressures for E. coli and their virulence in western-Canadian cattle. Factors which reduce carriage or expression of virulence genes, particularly in non-O157 serogroups, should be investigated. PMID:27482711

Influence of Season and Feedlot Location on Prevalence and Virulence Factors of Seven Serogroups of Escherichia coli in Feces of Western-Canadian Slaughter Cattle.

PubMed

Stanford, Kim; Johnson, Roger P; Alexander, Trevor W; McAllister, Tim A; Reuter, Tim

2016-01-01

Pooled feces collected over two years from 1749 transport trailers hauling western-Canadian slaughter cattle were analysed by PCR for detection of Escherichia coli serogroups O26, O45, O103, O111, O121, O145, and O157. Sequential immunomagnetic separation was then used to collect bacterial isolates (n = 1035) from feces positive for target serogroups. Isolated bacteria were tested by PCR to confirm serogroup and the presence of eae, ehxA, stx1, and stx2 virulence genes. Based on PCR screening, serogroup prevalence in feces ranged from 7.0% (O145) to 94.4% (O103) with at least 3 serogroups present in 79.5% of samples. Origin of cattle affected serogroup PCR prevalence and O157 was most prevalent in feces from south-west Alberta (P < 0.001). All serogroups demonstrated seasonal variations in PCR prevalence, with O26, O45, O103, O121, and O157 least prevalent (P < 0.001) in cooler winter months, while uncommon serogroups O111 and O145 increased in prevalence during winter (P < 0.001). However, isolates collected during winter were predominantly from serogroups O103 and O45. No seasonal variation was noted in proportion of isolates which were Shiga toxin containing E. coli (STEC; P = 0.18) or positive for Shiga toxin and eae (enterohemorrhagic E. coli; EHEC; P = 0.29). Isolates of serogroups O111, O145, and O157 were more frequently EHEC than were others, although 37.6-54.3% of isolates from other serogroups were also EHEC. Shiga-toxin genes present also varied by geographic origin of cattle (P < 0.05) in all serogroups except O157. As cattle within feedlots are sourced from multiple regions, locational differences in serogroup prevalence and virulence genes imply existence of selection pressures for E. coli and their virulence in western-Canadian cattle. Factors which reduce carriage or expression of virulence genes, particularly in non-O157 serogroups, should be investigated.

Spiral Plating Method To Quantify the Six Major Non-O157 Escherichia coli Serogroups in Cattle Feces.

PubMed

Shridhar, Pragathi B; Noll, Lance W; Cull, Charley A; Shi, Xiaorong; Cernicchiaro, Natalia; Renter, David G; Bai, Jianfa; Nagaraja, T G

2017-04-17

Cattle are a major reservoir of the six major Shiga toxin-producing non-O157 Escherichia coli (STEC) serogroups (O26, O45, O103, O111, O121, and O145) responsible for foodborne illnesses in humans. Besides prevalence in feces, the concentrations of STEC in cattle feces play a major role in their transmission dynamics. A subset of cattle, referred to as super shedders, shed E. coli O157 at high concentrations (≥4 log CFU/g of feces). It is not known whether a similar pattern of fecal shedding exists for non-O157. Our objectives were to initially validate the spiral plating method to quantify the six non-O157 E. coli serogroups with pure cultures and culture-spiked fecal samples and then determine the applicability of the method and compare it with multiplex quantitative PCR (mqPCR) assays for the quantification of the six non-O157 E. coli serogroups in cattle fecal samples collected from commercial feedlots. Quantification limits of the spiral plating method were 3 log, 3 to 4 log, and 3 to 5 log CFU/mL or CFU/g for individual cultures, pooled pure cultures, and cattle fecal samples spiked with pooled pure cultures, respectively. Of the 1,152 cattle fecal samples tested from eight commercial feedlots, 122 (10.6%) and 320 (27.8%) harbored concentrations ≥4 log CFU/g of one or more of the six serogroups of non-O157 by spiral plating and mqPCR methods, respectively. A majority of quantifiable samples, detected by either spiral plating (135 of 137, 98.5%) or mqPCR (239 of 320, 74.7%), were shedding only one serogroup. Only one of the quantifiable samples was positive for a serogroup carrying Shiga toxin (stx 1 ) and intimin (eae) genes; 38 samples were positive for serogroups carrying the intimin gene. In conclusion, the spiral plating method can be used to quantify non-O157 serogroups in cattle feces, and our study identified a subset of cattle that was super shedders of non-O157 E. coli . The method has the advantage of quantifying non-O157 STEC, unlike mqPCR that

Antiproliferative effects of ZnO, ZnO-MTCP, and ZnO-CuMTCP nanoparticles with safe intensity UV and X-ray irradiation

PubMed Central

Sadjadpour, Susan; Safarian, Shahrokh; Zargar, Seyed Jalal; Sheibani, Nader

2016-01-01

In photodynamic therapy (PDT) of cancer both the light and the photosensitizing agent are normally harmless, but in combination they could result in selective tumor killing. Zinc oxide nanoparticles were synthesized and coated with the amino acid cysteine to provide an adequate arm for conjugation with porphyrin photosensitizers (meso-tetra (4-carboxyphenyl) porphyrin [MTCP] and CuMTCP). Porphyrin-conjugated nanoparticles were characterized by TEM, FTIR, and UV–vis, and fluorescence spectrophotometry. The 3-[4, 5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide (MTT) assay was used to measure cell viability in the presence or absence of porphyrin conjugates following UV and X-ray irradiation. The uptake of the porphyrin-conjugated ZnO nanoparticles by cells was detected using fluorescence microscopy. Our results indicated that the survival of T-47D cells was significantly compromised in the presence of ZnO-MTCP-conjugated nanostructures with UV light exposure. Exhibition of cytotoxic activity of ZnO-MTCP for human prostate cancer (Du145) cells occurred at a higher concentration, indicating the more resistant nature of these tumor cells. ZnO-CuMTCP showed milder cytotoxic effects in human breast cancer (T-47D) and no cytotoxic effects in Du145 with UV light exposure, consistent with its lower cytotoxic potency as well as cellular uptake. Surprisingly, none of the ZnO-porphyrin conjugates exhibited cytotoxic effects with X-ray irradiation, whereas ZnO alone exerted cytotoxicity. Thus, ZnO and ZnO-porphyrin nanoparticles with UV or X-ray irradiation may provide a suitable treatment option for various cancers. PMID:25581219

(111)-oriented Pb(Zr ,Ti)O3 films deposited on SrRuO3/Pt electrodes: Reproducible preparation by metal organic chemical vapor deposition, top electrode influence, and reliability

NASA Astrophysics Data System (ADS)

Menou, Nicolas; Funakubo, Hiroshi

2007-12-01

(111)-textured Pb(Zr0.4Ti0.6)O3 films (thickness of ˜120nm) were deposited on (111)-oriented SrRuO3 bottom electrodes by pulse metal organic chemical vapor deposition (MOCVD). PZT single phase was evidenced over a large range of Pb precursor input rate into the MOCVD chamber. In this process window, the good control of the (111) texture of PZT films was confirmed. It is shown that the control of both the composition and orientation of PZT films leads to reproducible electric properties (Pr, Vc, resistance to fatigue) across the process window. Furthermore, the impact of the top electrode chemical nature, elaboration process, and annealing process upon the electric properties was studied systematically.

Island morphology statistics and growth mechanism for oxidation of the Al(111) surface with thermal O2 and NO

NASA Astrophysics Data System (ADS)

Sexton, J. Z.; Kummel, A. C.

2004-10-01

Scanning tunneling microscopy (STM) was employed to study the mechanism for the oxidation of Al(111) with thermal O2 and NO in the 20%-40% monolayer coverage regime. Experiments show that the islands formed upon exposure to thermal O2 and NO have dramatically different shapes, which are ultimately dictated by the dynamics of the gas surface interaction. The circumference-to-area ratio and other island morphology statistics are used to quantify the average difference in the two island types. Ultrahigh-vacuum STM was employed to make the following observations: (1) Oxygen islands on the Al(111) surface, formed upon exposure to thermal oxygen, are elongated and noncompact. (2) Mixed O/N islands on the Al(111) surface, formed upon exposure to thermal nitric oxide (NO), are round and compact. (3) STM movies acquired during thermal O2 exposure indicate that a complex mechanism involving chemisorption initiated rearrangement of preexisting oxygen islands leads to the asymmetric and elongated island shapes. The overall mechanism for the oxidation of the Al(111) surface can be summarized in three regimes. Low coverage is dominated by widely isolated small oxygen features (<3 O atoms) where normal dissociative chemisorption and oxygen abstraction mechanisms are present. At 20%-40% monolayer coverage, additional oxygen chemisorption induces rearrangement of preexisting islands to form free-energy minimum island shapes. At greater than ˜40% monolayer coverage, the apparent surface oxygen coverage asymptotes corresponding to the conversion of the 2D islands to 3D Al2O3 surface crystallites. The rearrangement of oxygen islands on the surface to form the observed islands indicates that there is a short-range oxygen-oxygen attractive potential and a long-range oxygen-oxygen repulsive potential.

Electronic, magnetic and optical properties of C- and N-doped CeO2 bulk and (111) surface from first-principles

NASA Astrophysics Data System (ADS)

Dai, Shuhua; Zhou, Wei; Liu, Yanyu; Lu, Yi-Lin; Sun, Lili; Wu, Ping

2018-05-01

The electronic, magnetic and optical properties of C- and N-doped CeO2 bulk and (111) surface have been systematically investigated by first-principles calculations. The results show that the spin splitting occurs when doping atoms replace the anion sites in the CeO2 matrix, causing a local magnetic moment of 2.00, and 1.00 μB for C- and N-doping, respectively. The strong hybridization between dopants 2p and O 2p triplet-states around the Fermi level gives rise to the half-metallic character for doped bulk systems, while substitution onto the surface eliminates the degeneration of dopants 2p orbitals, which results in anisotropic spin atmosphere. Especially, owing to the low formation energy and available RTFM, N-doped CeO2 would be easily realized in the experiment and should also be wonderful candidate materials for oxide spintronics. In addition, compared with N-doped CeO2, the calculated optical properties reveal that C-doped CeO2 (111) surface is able to enhance the absorption of the visible light.

What determines the interfacial configuration of Nb/Al2O3 and Nb/MgO interface

PubMed Central

Du, J. L.; Fang, Y.; Fu, E. G.; Ding, X.; Yu, K. Y.; Wang, Y. G.; Wang, Y. Q.; Baldwin, J. K.; Wang, P. P.; Bai, Q.

2016-01-01

Nb films are deposited on single crystal Al2O3 (110) and MgO(111) substrates by e-beam evaporation technique. Structure of Nb films and orientation relationships (ORs) of Nb/Al2O3 and Nb/MgO interface are studied and compared by the combination of experiments and simulations. The experiments show that the Nb films obtain strong (110) texture, and the Nb film on Al2O3(110) substrate shows a higher crystalline quality than that on MgO(111) substrate. First principle calculations show that both the lattice mismatch and the strength of interface bonding play major roles in determining the crystalline perfection of Nb films and ORs between Nb films and single crystal ceramic substrates. The fundamental mechanisms for forming the interfacial configuration in terms of the lattice mismatch and the strength of interface bonding are discussed. PMID:27698458

Intermediate phases in [111]- and [001]-oriented PbMg1/3Nb2/3O3-29PbTiO3 single crystals

NASA Astrophysics Data System (ADS)

Kamzina, L. S.

2017-09-01

Phase transformations in [111]- and [001]-oriented PbMg1/3Nb2/3O3-29PbTiO3 single crystals have been studied using dielectric and optical measurements before and after applying an electric field. It is shown that the subsequence of phase transitions rhombohedral ( R)—tetragonal ( T)—cubic ( C) phases is observed in nonpolarized samples of both orientations as temperature increases. In the [111]-oriented crystal, an additional intermediate monoclinic phase (it is possible, M a ) is induced after preliminary polarization at room temperature and the R- M a - T- C phase transitions are observed on heating. In the [001]-oriented crystal, after its polarization, the monoclinic phase forms instead of the rhombohedral phase even at room temperature and the M a - T- C transitions occur on heating. The results are discussed from the point of view of the existence polar nanoregions with different local symmetries in a glasslike matrix.

Strain and in-plane orientation effects on the ferroelectricity of (111)-oriented tetragonal Pb(Zr0.35Ti0.65)O3 thin films prepared by metal organic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Kuwabara, Hiroki; Menou, Nicolas; Funakubo, Hiroshi

2007-05-01

The growth and characterization of epitaxial (111)-oriented Pb(Zr0.35Ti0.65)O3 films deposited by metal organic chemical vapor deposition on (100)-oriented silicon substrates [(111)SrRuO3‖(111)Pt ‖(100)yttria-stabilizedzirconia‖(100)Si] are reported. The orientation, microstructure, and electric properties of these films are compared to those of fiber-textured highly (111)-oriented lead zirconate titanate (PZT) films deposited on (111)SrRuO3/(111)Pt/TiOx/SiO2/(100)Si substrates and epitaxial (111)-oriented PZT films deposited on (111)SrRuO3‖(111)SrTiO3 substrates. The ferroelectric properties of these films are not drastically influenced by the in-plane orientation of the film and by the strain state imposed by the underlying substrate. These results support the use of fiber-textured highly (111)-oriented films in highly stable ferroelectric capacitors.

Relation Between Deoxyribonucleic Acid and Intracytoplasmic Membranes in Escherichia coli O111a11

PubMed Central

Altenburg, Betty C.; Suit, Joan C.

1970-01-01

The possibility of a relationship between intracytoplasmic membranes and deoxyribonucleic acid (DNA) in Escherichia coli O111a1 has been investigated. To facilitate this investigation, a simple enzymatic assay for the amount of internal membrane present in a culture was developed. This assay was then used to show that the appearance of intracytoplasmic membranes is accompanied by an increase in the DNA content of the cells. Electron micrographs have confirmed this observation and have shown DNA to be in contact with the intracytoplasmic membranes. Extensive membranes were observed at sites of apparently unsuccessful attempts at cell division. These observations led to the conclusion that the internal membrane formed by strain O111a1 represents “extra” membrane, which is functional in that it contains sites for DNA replication, but is produced in excess because the organism is somehow defective in its regulation of membrane synthesis. Images PMID:4192984

Hydrothermal synthesis of hierarchical CoO/SnO2 nanostructures for ethanol gas sensor.

PubMed

Wang, Qingji; Kou, Xueying; Liu, Chang; Zhao, Lianjing; Lin, Tingting; Liu, Fangmeng; Yang, Xueli; Lin, Jun; Lu, Geyu

2018-03-01

In this work, ethanol gas sensor with high performance was fabricated successfully with hierarchical CoO/SnO 2 heterojunction by two-steps hydrothermal method. The response value of CoO/SnO 2 sensor is up to 145 at 250 °C when exposed to 100 ppm ethanol gas, which is much higher than that (13.5) of SnO 2 sensor. These good sensing performances mainly attribute to the formation of the CoO/SnO 2 heterojunction, which makes great variation of resistance in air and ethanol gas. Thus, the combination of n-type SnO 2 and p-type CoO provides an effective strategy to design new ethanol gas sensors. The unique nanostructure also played an important role in detecting ethanol, due to its contribution in facilitating the transport rate of the ethanol gas molecules. Also, we provide a general two-step strategy for designing the heterojunction based on the SnO 2 nanostructure. Copyright © 2017 Elsevier Inc. All rights reserved.

Thickness-dependent multiferroic behavior of BiFe0.75Cr0.25O3 films over Pt(111)/Ti/SiO2/Si substrate

NASA Astrophysics Data System (ADS)

William, R. V.; Sivaprakash, P.; Marikani, A.; Reddy, V. Raghavendra; Arumugam, S.

2018-02-01

We present here the experimental results of BiFe0.75Cr0.25O3 (BFCO) thin film deposited by sol-gel spin coating technique directly on Pt(111)/Ti/SiO2/Si substrate at different thicknesses. The crystal structure of BFCO has been investigated using X-ray diffraction which acts as a double perovskite structure with high crystallinity obtained at 400 °C. Further microscopic studies such as scanning electron microscope (SEM) with EDAX, transmission electron microscope (TEM) were also used in identifying the grain size and particle distribution over Pt (111) substrate. Atomic force microscopy (AFM) on the films at a different thickness (- 80 to - 250 nm) reveals that the surface roughness and other amplitude parameters increases with the increase in thickness signifying an increase of grain size with thickness. Increase in grain size and substrate clamping effect between the BFCO film and the substrate induces change in ferroelectric polarization and dielectric properties in relation to thickness effect. Similarly, decrease in magnetization from 9.241 emu/cm3 (- 80 nm) to 5.7791 emu/cm3 (- 250 nm) is attributed to the formation of anti-sites and anti-phase boundaries in the films. In addition, temperature dependence of magnetization reveals ferromagnetic super-exchange interaction of BFCO which is unlike the spin structure of antiferromagnetic BiFeO3.

Chemical waves in the O2 + H2 reaction on a Rh(111) surface alloyed with nickel. II. Photoelectron spectroscopy and microscopy

NASA Astrophysics Data System (ADS)

Smolinsky, Tim; Homann, Mathias; von Boehn, Bernhard; Gregoratti, Luca; Amati, Matteo; Al-Hada, Mohamed; Sezen, Hikmet; Imbihl, Ronald

2018-04-01

Chemical waves in the H2 + O2 reaction on a Rh(111) surface alloyed with Ni [ΘNi < 1.5 monolayers (ML)] have been investigated in the 10-7 and 10-6 mbar range at T = 773 K using scanning photoelectron microscopy and x-ray photoelectron spectroscopy as in situ methods. The local intensity variations of the O 1s and the Ni 2p signal display an anticorrelated behavior. The coincidence of a high oxygen signal with a low Ni 2p intensity, which seemingly contradicts the chemical attraction between O and Ni, has been explained with a phase separation of the oxygen covered Rh(111)/Ni surface into a 3D-Ni oxide and into a Ni poor metallic phase. Macroscopic NiO islands (≈1 μm size) formed under reaction conditions have been identified as 2D-Ni oxide. Titration experiments of the oxygen covered Rh(111)/Ni surface with H2 demonstrated that the reactivity of oxygen is decreased by an order of magnitude through the addition of 0.6 ML Ni. An excitation mechanism is proposed in which the periodic formation and reduction of NiO modulate the catalytic activity.

Twinning induced by the rhombohedral to orthorhombic phase transition in lanthanum gallate (LaGaO3)

NASA Astrophysics Data System (ADS)

Wang, W. L.; Lu, H. Y.

2006-10-01

Phase-transformation-induced twins in pressureless-sintered lanthanum gallate (LaGaO3) ceramics have been analysed using the transmission electron microscopy (TEM). Twins are induced by solid state phase transformation upon cooling from the rhombohedral (r, Rbar{3}c) to orthorhombic ( o, Pnma) symmetry at ˜145°C. Three types of transformation twins {101} o , {121} o , and {123} o were found in grains containing multiple domains that represent orientation variants. Three orthorhombic orientation variants were distinguished from the transformation domains converged into a triple junction. These twins are the reflection type as confirmed by tilting experiment in the microscope. Although not related by group-subgroup relation, the transformation twins generated by phase transition from rhombohedral to orthorhombic are consistent with those derived from taking cubic Pm {bar {3}}m aristotype of the lowest common supergroup symmetry as an intermediate metastable structure. The r→ o phase transition of first order in nature may have occurred by a diffusionless, martensitic-type or discontinuous nucleation and growth mechanism.

Tetra­kis(1,1,1-trifluoro­acetyl­acetonato-κ2 O,O′)hafnium(IV) toluene disolvate

PubMed Central

Viljoen, J. Augustinus; Muller, Alfred; Roodt, Andreas

2008-01-01

In the title compound, [Hf(C5H4F3O2)4]·2C7H8, the HfIV atom, lying on a twofold rotation axis, is coordinated by eight O atoms from four 1,1,1-trifluoro­acetyl­acetonate ligands with an average Hf—O distance of 2.173 (1) Å and O—Hf—O bite angles of 75.69 (5) and 75.54 (5)°. The coordination polyhedron shows a slightly distorted Archimedean square antiprismatic geometry. The asymmetric unit contains a toluene solvent mol­ecule. The crystal structure involves C—H⋯.F hydrogen bonds. PMID:21202519

Interaction of Au with thin ZrO2 films: influence of ZrO2 morphology on the adsorption and thermal stability of Au nanoparticles.

PubMed

Pan, Yonghe; Gao, Yan; Kong, Dandan; Wang, Guodong; Hou, Jianbo; Hu, Shanwei; Pan, Haibin; Zhu, Junfa

2012-04-10

The model catalysts of ZrO(2)-supported Au nanoparticles have been prepared by deposition of Au atoms onto the surfaces of thin ZrO(2) films with different morphologies. The adsorption and thermal stability of Au nanoparticles on thin ZrO(2) films have been investigated using synchrotron radiation photoemission spectroscopy (SRPES) and X-ray photoelectron spectroscopy (XPS). The thin ZrO(2) films were prepared by two different methods, giving rise to different morphologies. The first method utilized wet chemical impregnation to synthesize the thin ZrO(2) film through the procedure of first spin-coating a zirconium ethoxide (Zr(OC(2)H(5))(4)) precursor onto a SiO(2)/Si(100) substrate at room temperature followed by calcination at 773 K for 12 h. Scanning electron microscopy (SEM) investigations indicate that highly porous "sponge-like nanostructures" were obtained in this case. The second method was epitaxial growth of a ZrO(2)(111) film through vacuum evaporation of Zr metal onto Pt(111) in 1 × 10(-6) Torr of oxygen at 550 K followed by annealing at 1000 K. The structural analysis with low energy electron diffraction (LEED) of this film exhibits good long-range ordering. It has been found that Au forms smaller particles on the porous ZrO(2) film as compared to those on the ordered ZrO(2)(111) film at a given coverage. Thermal annealing experiments demonstrate that Au particles are more thermally stable on the porous ZrO(2) surface than on the ZrO(2)(111) surface, although on both surfaces, Au particles experience significant sintering at elevated temperatures. In addition, by annealing the surfaces to 1100 K, Au particles desorb completely from ZrO(2)(111) but not from porous ZrO(2). The enhanced thermal stability for Au on porous ZrO(2) can be attributed to the stronger interaction of the adsorbed Au with the defects and the hindered migration or coalescence resulting from the porous structures. © 2012 American Chemical Society

Water dissociative adsorption on NiO(111): Energetics and structure of the hydroxylated surface

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

Zhao, Wei; Bajdich, Michal; Carey, Spencer

The energetics of the reactions of water with metal oxide surfaces are of tremendous interest for catalysis, electrocatalysis, and geochemistry, yet the energy for the dissociative adsorption of water was only previously measured on one well-defined oxide surface, iron oxide. In the present paper, the enthalpy of the dissociative adsorption of water is measured on NiO(111)-2 × 2 at 300 K using single-crystal adsorption calorimetry. The differential heat of dissociative adsorption decreases with coverage from 170 to 117 kJ/mol in the first 0.25 ML of coverage. Water adsorbs molecularly on top of that, with a heat of ~92 kJ/mol. Densitymore » functional theory (DFT) calculations reproduce the measured energies well (all within 17 kJ/mol) and provide insight into the atomic-level structure of the surfaces studied experimentally. They show that the oxygen-terminated O-octo(2 × 2) structure is the most stable NiO(111)-2 × 2 termination and gives reaction energies with water that are more consistent with the calorimetry results than the metal-terminated surface. They show that water adsorbs dissociatively on this (2 × 2)-O-octo surface to produce a hydroxyl-covered surface with a heat of adsorption of 171 ± 5 kJ/mol in the low-coverage limit (very close to 170 kJ/mol experimentally) and an integral heat that decreases by 14 kJ/mol up to saturation (compared to ~30 kJ/mol experimentally). As a result, sensitivity of this reaction’s energy to choice of DFT method is tested using a variety of different exchange correlation functionals, including HSE06, and found to be quite weak.« less

Water dissociative adsorption on NiO(111): Energetics and structure of the hydroxylated surface

DOE PAGES

Zhao, Wei; Bajdich, Michal; Carey, Spencer; ...

2016-09-19

The energetics of the reactions of water with metal oxide surfaces are of tremendous interest for catalysis, electrocatalysis, and geochemistry, yet the energy for the dissociative adsorption of water was only previously measured on one well-defined oxide surface, iron oxide. In the present paper, the enthalpy of the dissociative adsorption of water is measured on NiO(111)-2 × 2 at 300 K using single-crystal adsorption calorimetry. The differential heat of dissociative adsorption decreases with coverage from 170 to 117 kJ/mol in the first 0.25 ML of coverage. Water adsorbs molecularly on top of that, with a heat of ~92 kJ/mol. Densitymore » functional theory (DFT) calculations reproduce the measured energies well (all within 17 kJ/mol) and provide insight into the atomic-level structure of the surfaces studied experimentally. They show that the oxygen-terminated O-octo(2 × 2) structure is the most stable NiO(111)-2 × 2 termination and gives reaction energies with water that are more consistent with the calorimetry results than the metal-terminated surface. They show that water adsorbs dissociatively on this (2 × 2)-O-octo surface to produce a hydroxyl-covered surface with a heat of adsorption of 171 ± 5 kJ/mol in the low-coverage limit (very close to 170 kJ/mol experimentally) and an integral heat that decreases by 14 kJ/mol up to saturation (compared to ~30 kJ/mol experimentally). As a result, sensitivity of this reaction’s energy to choice of DFT method is tested using a variety of different exchange correlation functionals, including HSE06, and found to be quite weak.« less

The Phase Relations in the In 2O 3-Al 2ZnO 4-ZnO System at 1350°C

NASA Astrophysics Data System (ADS)

Nakamura, Masaki; Kimizuka, Noboru; Mohri, Takahiko; Isobe, Mitsumasa

1993-08-01

Phase relations in the In 2O 3-Al 2ZnO 4-ZnO system at 1350°C are determined by a classical quenching method. This system consists of In 2O 3, Al 2ZnO 4, ZnO, and homologous phases InAlO 3(ZnO) m ( m = 2, 3, …) having solid solutions with LuFeO 3(ZnO) m-type crystal structures. These solid solution ranges are as follows: In 1+ x1Al 1- x1O 3(ZnO) 2 ( x1 = 0.70)-In 1+ x2Al 1- x2O 3(ZnO) 2 ( x2 = 0.316-0.320), In 2O 3(ZnO) 3-In 1+ xAl 1- xO 3(ZnO) 3 ( x = 0.230), In 2O 3(ZnO) 4-In 1+ xAl 1- xO 3(ZnO) 4 ( x = 0.15-0.16), In 2O 3(ZnO) 5-In 1+ xAl 1- xO 3(ZnO) 5 ( x = 0.116-0.130), In 2O 3(ZnO) 6-In 1+ xAl 1- xO 3(ZnO) 6 ( x = 0.000-0.111), In 2O 3(ZnO) 7-In 1+ xAl 1- xO 3(ZnO) 7 ( x = 0.08), In 2O 3(ZnO) 8-In 1+ xAl 1- xO 3(ZnO) 8 ( x: undetermined), and In 2O 3(ZnO) m-InAlO 3(ZnO) m ( m = 9, 10, 11, 13, 15, 17, and 19). The space groups of these homologous phases belong to R3¯ m for m = odd or P6 3/ mmc for m = even. Their crystal structures, In 1+ xAl 1- xO 3(ZnO) m (0 < x < 1), consist of three kinds of layers: an InO 1.5 layer, an (In xAl 1- xZn)O 2.5 layer, and ZnO layers. A comparison of the phase relations in the In 2O 3- M2ZnO 4-ZnO systems ( M = Fe, Ga, or Al) is made and their characteristic features are discussed in terms of the ionic radii and site preferences of the M cations.

Magnetic domain configuration of (111)-oriented LaFeO 3 epitaxial thin films

DOE PAGES

Hallsteinsen, I.; Moreau, M.; Chopdekar, R. V.; ...

2017-08-22

In antiferromagnetic spintronics control of the domains and corresponding spin axis orientation is crucial for devices. Here we investigate the antiferromagnetic axis in (111)-oriented LaFeO 3 SrTiO 3 , which is coupled to structural twin domains. The structural domains have either the orthorhombic a- or b-axis along the in-plane <1more » $$\\bar{1}$$0> cubic directions of the substrate, and the corresponding magnetic domains have the antiferromagnetic axis in the sample plane. Six degenerate antiferromagnetic axes are found corresponding to the <1$$\\bar{1}$$0> and <11$$\\bar{2}$$> in-plane directions. This is in contrast to the biaxial anisotropy in (001)-oriented films and reflects how crystal orientation can be used to control magnetic anisotropy in antiferromagnets.« less

In situ Investigation of Methane Dry Reforming on M-CeO 2(111) {M= Co, Ni, Cu} Surfaces: Metal-Support Interactions and the activation of C-H bonds at Low Temperature

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

Rodriguez, Jose A.; Liu, Zongyuan; Lustemberg, Pablo

Studies with a series of M-CeO 2(111) {M= Co, Ni, Cu} surfaces indicate that metal-oxide interactions can play a very important role for the activation of methane and its reforming with CO 2 at relatively low temperatures (600-700 K). Among the systems examined, Co-CeO 2(111) exhibits the best performance and Cu-CeO 2(111) has negligible activity. Experiments using ambient pressure XPS indicate that methane dissociates on Co-CeO2(111), at temperatures as low as 300 K, generating CH x and CO x species on the catalyst surface. The results of density-functional calculations show a reduction in the methane activation barrier from 1.07 eVmore » on Co(0001) to 0.87 eV on Co 2+/CeO 2(111), and to only 0.05 eV on Co 0/CeO 2-x(111). At 700 K, under methane dry reforming conditions, CO 2 dissociates on the oxide surface and a catalytic cycle is established without coke deposition. In conclusion, a significant part of the CH x formed on the Co 0/CeO 2-x (111) catalyst recombines to yield ethane or ethylene.« less

In situ Investigation of Methane Dry Reforming on M-CeO 2(111) {M= Co, Ni, Cu} Surfaces: Metal-Support Interactions and the activation of C-H bonds at Low Temperature

DOE PAGES

Rodriguez, Jose A.; Liu, Zongyuan; Lustemberg, Pablo; ...

2017-08-16

Studies with a series of M-CeO 2(111) {M= Co, Ni, Cu} surfaces indicate that metal-oxide interactions can play a very important role for the activation of methane and its reforming with CO 2 at relatively low temperatures (600-700 K). Among the systems examined, Co-CeO 2(111) exhibits the best performance and Cu-CeO 2(111) has negligible activity. Experiments using ambient pressure XPS indicate that methane dissociates on Co-CeO2(111), at temperatures as low as 300 K, generating CH x and CO x species on the catalyst surface. The results of density-functional calculations show a reduction in the methane activation barrier from 1.07 eVmore » on Co(0001) to 0.87 eV on Co 2+/CeO 2(111), and to only 0.05 eV on Co 0/CeO 2-x(111). At 700 K, under methane dry reforming conditions, CO 2 dissociates on the oxide surface and a catalytic cycle is established without coke deposition. In conclusion, a significant part of the CH x formed on the Co 0/CeO 2-x (111) catalyst recombines to yield ethane or ethylene.« less

12 CFR 145.121 - Indemnification of directors, officers and employees.

Code of Federal Regulations, 2014 CFR

2014-01-01

... paragraph (b) of this section is subject to and qualified by 12 U.S.C. 1821(k). ... 12 Banks and Banking 1 2014-01-01 2014-01-01 false Indemnification of directors, officers and employees. 145.121 Section 145.121 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY...

12 CFR 145.121 - Indemnification of directors, officers and employees.

Code of Federal Regulations, 2012 CFR

2012-01-01

... paragraph (b) of this section is subject to and qualified by 12 U.S.C. 1821(k). ... 12 Banks and Banking 1 2012-01-01 2012-01-01 false Indemnification of directors, officers and employees. 145.121 Section 145.121 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY...

12 CFR 145.121 - Indemnification of directors, officers and employees.

Code of Federal Regulations, 2013 CFR

2013-01-01

... paragraph (b) of this section is subject to and qualified by 12 U.S.C. 1821(k). ... 12 Banks and Banking 1 2013-01-01 2013-01-01 false Indemnification of directors, officers and employees. 145.121 Section 145.121 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY...

Synthesis of ZnO-Pt nanoflowers and their photocatalytic applications.

PubMed

Yuan, Jiaquan; Choo, Eugene Shi Guang; Tang, Xiaosheng; Sheng, Yang; Ding, Jun; Xue, Junmin

2010-05-07

The photocatalytic behaviors of ZnO nanoparticles have been intensively studied recently. However, the photocatalytic efficiency of pure ZnO nanoparticles always suffers from the quick recombination of photoexcited electrons and holes. In order to suppress the electron-hole recombination and then raise the photocatalytic efficiency of ZnO, metal nanoparticles have been combined with ZnO to form ZnO-metal heterostructures. In this work, the feasibility of synthesizing ZnO-Pt composite nanoflowers for optimized catalytic properties was studied. Three different Pt nanocrystals, i.e. cubic Pt nanocrystals enclosed by {100} facets, octahedral Pt nanocrystals enclosed by {111} facets, and truncated octahedral Pt nanocrystals enclosed by both {111} and {100} facets, were selected as seeds for epitaxial growth of ZnO. A ZnO-Pt flowerlike nanostructure was formed by selective growth of ZnO nanolobes at {111} facets of the truncated octahedral Pt nanocrystals. The resultant nanoflowers had well defined ZnO-Pt interfaces and exposed Pt {100} facets, as confirmed by transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) measurements. The photocatalytic behaviors of the resultant ZnO-Pt nanoflowers were demonstrated in the photodegradation of ethyl violet. In comparison with the commercial TiO(2) photocatalyst P25, the ZnO-Pt flowerlike nanostructures showed improved catalytic efficiency. Notable ferromagnetism of the obtained ZnO-Pt flowerlike nanostructures was also observed. It is believed that the ZnO-Pt interface played an important role in the enlarged magnetic coercivity of the ZnO-Pt nanoflowers.

Water–gas shift reaction over gold nanoparticles dispersed on nanostructured CeO x–TiO 2(110) surfaces: Effects of high ceria coverage

DOE PAGES

Grinter, D. C.; Park, J. B.; Agnoli, S.; ...

2016-08-01

We used scanning tunnelling microscopy to study the morphology of an overlayer of ceria in contact with a TiO 2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 × 2) relationship to the underlying TiO 2(110)-(1 × 1). For the other half of the surface, it comprised CeO x nanoparticles and reconstructed TiOx supported on TiO 2(110)-(1 × 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film andmore » TiO 2(110)-(1 × 1) areas, which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeO x/TiO 2(110) model system proved to be a good catalyst for the water–gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO 2(110) and Au/CeO 2(111) systems. Finally, for Au/CeO x/TiO 2(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce 3 + formed during WGS reaction conditions.« less

Water–gas shift reaction over gold nanoparticles dispersed on nanostructured CeO x–TiO 2(110) surfaces: Effects of high ceria coverage

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

Grinter, D. C.; Park, J. B.; Agnoli, S.

We used scanning tunnelling microscopy to study the morphology of an overlayer of ceria in contact with a TiO 2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 × 2) relationship to the underlying TiO 2(110)-(1 × 1). For the other half of the surface, it comprised CeO x nanoparticles and reconstructed TiOx supported on TiO 2(110)-(1 × 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film andmore » TiO 2(110)-(1 × 1) areas, which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeO x/TiO 2(110) model system proved to be a good catalyst for the water–gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO 2(110) and Au/CeO 2(111) systems. Finally, for Au/CeO x/TiO 2(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce 3 + formed during WGS reaction conditions.« less

Detection of esophageal cancer cell by photoelectrochemical Cu2O/ZnO biosensor (Conference Presentation)

NASA Astrophysics Data System (ADS)

Hsu, Chao-Hsin; Chu, Cheng-Hsun; Chen, Weichung; Wu, I.-Chen; Wu, Ming Tsang; Kuo, Chie-Tong; Tsiang, Raymond Chien-Chao; Wang, Hsiang-Chen

2016-03-01

We have demonstrated a Cu2O/ZnO nanorods (NRs) array p-n heterostructures photoelectrochemical biosensor. The electrodeposition of Cu2O at pH 12 acquired the preferably (111) lattice planes, resulting in the largest interfacial electric field between Cu2O and ZnO, which finally led to the highest separation efficiency of photogenerated charge carriers. High verticality ZnO nanorods by seed layer and thermal annealing assist the hydrothermal growth. The optimized Cu2O/ZnO NRs array p-n heterostructures exhibited enhanced PEC performance, such as elevated photocurrent and photoconversion efficiency, as well as excellent sensing performance for the sensitive detection of four strains of different races and different degree of cancer cell which made the device self-powered. We got spectral response characteristics and operating wavelength range of biosensor, and to verify the biological characteristics of cancer cells wafer react with different stages of cancer characterized by a cancer measured reaction experiment.

Escherichia coli O-Antigen Gene Clusters of Serogroups O62, O68, O131, O140, O142, and O163: DNA Sequences and Similarity between O62 and O68, and PCR-Based Serogrouping

PubMed Central

Liu, Yanhong; Yan, Xianghe; DebRoy, Chitrita; Fratamico, Pina M.; Needleman, David S.; Li, Robert W.; Wang, Wei; Losada, Liliana; Brinkac, Lauren; Radune, Diana; Toro, Magaly; Hegde, Narasimha; Meng, Jianghong

2015-01-01

The DNA sequence of the O-antigen gene clusters of Escherichia coli serogroups O62, O68, O131, O140, O142, and O163 was determined, and primers based on the wzx (O-antigen flippase) and/or wzy (O-antigen polymerase) genes within the O-antigen gene clusters were designed and used in PCR assays to identify each serogroup. Specificity was tested with E. coli reference strains, field isolates belonging to the target serogroups, and non-E. coli bacteria. The PCR assays were highly specific for the respective serogroups; however, the PCR assay targeting the O62 wzx gene reacted positively with strains belonging to E. coli O68, which was determined by serotyping. Analysis of the O-antigen gene cluster sequences of serogroups O62 and O68 reference strains showed that they were 94% identical at the nucleotide level, although O62 contained an insertion sequence (IS) element located between the rmlA and rmlC genes within the O-antigen gene cluster. A PCR assay targeting the rmlA and rmlC genes flanking the IS element was used to differentiate O62 and O68 serogroups. The PCR assays developed in this study can be used for the detection and identification of E. coli O62/O68, O131, O140, O142, and O163 strains isolated from different sources. PMID:25664526

Fabrication and electrical properties of a (Pb,La)(Zr,Ti)O3 capacitor with pulsed laser deposited Sn-doped In2O3 bottom electrode on Al2O3(0001)

NASA Astrophysics Data System (ADS)

Takada, Yoko; Tamano, Rika; Okamoto, Naoki; Saito, Takeyasu; Yoshimura, Takeshi; Fujimura, Norifumi; Higuchi, Koji; Kitajima, Akira

2017-07-01

A Sn-doped In2O3 (ITO) electrode was deposited on Al2O3(0001) using pulsed laser deposition at different oxygen pressures to create the bottom electrode of a (Pb,La)(Zr,Ti)O3 (PLZT) capacitor. The crystallographic orientation of the ITO films was controlled via the oxygen pressure. At 600 °C the (111) peak became dominant when the O2 pressure was increased, and when the pressure reached 2.0 Pa the ITO films became preferentially (111) oriented. The remnant polarization was 58.8-90.7 and 46.0-47.5 µC/cm2 for the Pt/PLZT/ITO and ITO/PLZT/ITO capacitors, respectively; the ferroelectric properties of these capacitors were also determined.

Interface engineering of high-Mg-content MgZnO/BeO/Si for p-n heterojunction solar-blind ultraviolet photodetectors

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

Liang, H. L.; Mei, Z. X.; Zhang, Q. H.

2011-05-30

High-quality wurtzite MgZnO film was deposited on Si(111) substrate via a delicate interface engineering using BeO, by which solar-blind ultraviolet photodetectors were fabricated on the n-MgZnO(0001)/p-Si(111) heterojunction. A thin Be layer was deposited on clean Si surface with subsequent in situ oxidation processes, which provides an excellent template for high-Mg-content MgZnO growth. The interface controlling significantly improves the device performance, as the photodetector demonstrates a sharp cutoff wavelength at 280 nm, consistent with the optical band gap of the epilayer. Our experimental results promise potential applications of this technique in integration of solar-blind ultraviolet optoelectronic device with Si microelectronic technologies.

Size Controlled Two-dimensional Co3O4 with Exposure of {111} Plane: Synthesis and Catalytic Properties for Photooxidation of Organics

EPA Science Inventory

The size controlled 2D hexagonal structured Co3O4 with exposure of the {111} plane was fabricated, and the catalytic properties for photooxidation of organics using as-prepared samples were investigated. 2D hexagonal structured Co3O4 with the size of 3 m displays higher photocat...

Direct Observation of Charge Transfer at a MgO(111) Surface

NASA Astrophysics Data System (ADS)

Subramanian, A.; Marks, L. D.; Warschkow, O.; Ellis, D. E.

2004-01-01

Transmission electron diffraction (TED) combined with direct methods have been used to study the √(3)×√(3)R30° reconstruction on the polar (111) surface of MgO and refine the valence charge distribution. The surface is nonstoichiometric and is terminated by a single magnesium atom. A charge-compensating electron hole is localized in the next oxygen layer and there is a nominal charge transfer from the oxygen atoms to the top magnesium atom. The partial charges that we obtain for the surface atoms are in reasonable agreement with empirical bond-valence estimations.

Growth and characterization of textured well-faceted ZnO on planar Si(100), planar Si(111), and textured Si(100) substrates for solar cell applications.

PubMed

Tsai, Chin-Yi; Lai, Jyong-Di; Feng, Shih-Wei; Huang, Chien-Jung; Chen, Chien-Hsun; Yang, Fann-Wei; Wang, Hsiang-Chen; Tu, Li-Wei

2017-01-01

In this work, textured, well-faceted ZnO materials grown on planar Si(100), planar Si(111), and textured Si(100) substrates by low-pressure chemical vapor deposition (LPCVD) were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and cathode luminescence (CL) measurements. The results show that ZnO grown on planar Si(100), planar Si(111), and textured Si(100) substrates favor the growth of ZnO(110) ridge-like, ZnO(002) pyramid-like, and ZnO(101) pyramidal-tip structures, respectively. This could be attributed to the constraints of the lattice mismatch between the ZnO and Si unit cells. The average grain size of ZnO on the planar Si(100) substrate is slightly larger than that on the planar Si(111) substrate, while both of them are much larger than that on the textured Si(100) substrate. The average grain sizes (about 10-50 nm) of the ZnO grown on the different silicon substrates decreases with the increase of their strains. These results are shown to strongly correlate with the results from the SEM, AFM, and CL as well. The reflectance spectra of these three samples show that the antireflection function provided by theses samples mostly results from the nanometer-scaled texture of the ZnO films, while the micrometer-scaled texture of the Si substrate has a limited contribution. The results of this work provide important information for optimized growth of textured and well-faceted ZnO grown on wafer-based silicon solar cells and can be utilized for efficiency enhancement and optimization of device materials and structures, such as heterojunction with intrinsic thin layer (HIT) solar cells.

Complete genome sequence of a natural Escherichia coli O145:H11 isolate that belongs to Phylo-group A

USDA-ARS?s Scientific Manuscript database

Escherichia coli O145:H11 strain RM14721 was originally isolated from wildlife feces near a leafy greens-growing region in Yuma, Arizona. This strain was initially positive in stx1; however, in the subsequent cultures, stx1 was not detected by PCR. Here we report the complete genome sequence and ann...

Initial reactive sticking coefficient of O 2 on Si(111)-7 × 7 at elevated temperatures

NASA Astrophysics Data System (ADS)

Shklyaev, A. A.; Suzuki, Takanori

1996-05-01

Kinetics of the initial stage of oxide growth in the reaction of oxygen with Si(111)-7 × 7 at temperatures from room temperature to Ttr, and pressures from 5 × 10 -9 to 2 × 10 -7 Torr are investigated with optical second-harmonic generation, here temperature from oxide growth to Si etching without oxide growth. At a fixed pressure, the initial reactive sticking coefficient ( S0), obtained from the rate of oxide growth, decreases with increasing temperature to S0=0 at Ttr. We have found that the initial reacti sticking coefficient depends on the O 2 pressure. At temperatures above 320°C, the whole temperature dependence of S0 is situated in the region of higher temperatures for higher O 2 pressures ( Pox). Moreover, an additional bend in the temperature dependence of S0 is observed for Pox>1 × 10 -8 Torr near Ttr. A precursor-mediated adsorption model involving the reaction of formation is considered. The parameters of this model, obtained from the best fits to the experimental data, show that oxide growth rate constant increases and volatile SiO formation rate constant decreases as a function of O 2 pressure. At zero oxide coverage, the pressure dependence of the reaction rate constants is suggested to originate from interaction in the layer of the chemisorbed precursor species, whose coverage depends on the O 2 pressure. The volatile SiO formation is described by a three-step sequential two-channel process through the chemisorbed O 2 precursor species, whereas one of the channels with a larger activation energy is suggested to induce the additional bend in S0( T) near Ttr at higher O 2 pressures.

First-principles characterization of formate and carboxyl adsorption on the stoichiometric CeO2(111) and CeO2(110) surfaces

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

Mei, Donghai

2013-05-20

Molecular adsorption of formate and carboxyl on the stoichiometric CeO2(111) and CeO2(110) surfaces was studied using periodic density functional theory (DFT+U) calculations. Two distinguishable adsorption modes (strong and weak) of formate are identified. The bidentate configuration is more stable than the monodentate adsorption configuration. Both formate and carboxyl bind at the more open CeO2(110) surface are stronger. The calculated vibrational frequencies of two adsorbed species are consistent with experimental measurements. Finally, the effects of U parameters on the adsorption of formate and carboxyl over both CeO2 surfaces were investigated. We found that the geometrical configurations of two adsorbed species aremore » not affected by using different U parameters (U=0, 5, and 7). However, the calculated adsorption energy of carboxyl pronouncedly increases with the U value while the adsorption energy of formate only slightly changes (<0.2 eV). The Bader charge analysis shows the opposite charge transfer occurs for formate and carboxyl adsorption where the adsorbed formate is negatively charge whiled the adsorbed carboxyl is positively charged. Interestingly, with the increasing U parameter, the amount of charge is also increased. This work was supported by the Laboratory Directed Research and Development (LDRD) project of the Pacific Northwest National Laboratory (PNNL) and by a Cooperative Research and Development Agreement (CRADA) with General Motors. The computations were performed using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at PNNL in Richland, Washington. Part of the computing time was also granted by the National Energy Research Scientific Computing Center (NERSC)« less

Phase Equilibria in the System "FeO"-CaO-SiO2-Al2O3-MgO at Different CaO/SiO2 Ratios

NASA Astrophysics Data System (ADS)

Jang, Kyoung-oh; Ma, Xiaodong; Zhu, Jinming; Xu, Haifa; Wang, Geoff; Zhao, Baojun

2017-06-01

The "FeO"-containing slags play an important role in the operation of an ironmaking blast furnace (BF), in particular the primary slags such as the system "FeO"-CaO-SiO2-Al2O3-2 mass pct MgO with CaO/SiO2 weight ratios of 1.3, 1.5, and 1.8 saturated with metallic iron. To investigate the characteristics of such a slag system and its behavior in BF, the phase equilibria and liquidus temperatures in the slag system have been experimentally determined using the high-temperature equilibration and quenching technique followed by an electron probe X-ray microanalysis (EPMA). Isotherms between 1553 K and 1603 K (1280 °C and 1330 °C) were determined in the primary phase fields of dicalcium silicate, melilite, spinel, and monoxide [(Mg,Fe2+)O]. Pseudo-ternary phase diagrams of (CaO + SiO2)-Al2O3-"FeO" with a fixed MgO concentration at 2 mass pct and at CaO/SiO2 ratios of 1.3, 1.5, and 1.8 have been discussed, respectively, simplifying the complexity of the slag system for easy understanding and applying in BF operation. It was found that the liquidus temperatures increase in melilite and spinel primary phase fields, but decrease in dicalcium silicate and monoxide primary phase fields with increasing Al2O3/(CaO + SiO2) ratio. In addition, the liquidus temperatures decrease with increasing "FeO" concentration in dicalcium silicate and melilite primary phase fields, while showing an increasing trend in the spinel and monoxide primary phase fields. The data resulted from this study can be used to improve and optimize currently available database of thermodynamic models used in FactSage.

Solvothermal synthesis, characterization and optical properties of ZnO, ZnO-MgO and ZnO-NiO, mixed oxide nanoparticles

NASA Astrophysics Data System (ADS)

Aslani, Alireza; Arefi, Mohammad Reza; Babapoor, Aziz; Amiri, Asghar; Beyki-Shuraki, Khalil

2011-03-01

ZnO-MgO and ZnO-NiO mixed oxides nanoparticles were produced from a solution containing Zinc acetate, Mg and Ni nitrate by Solvothermal method. The calcination process of the ZnO-MgO and ZnO-NiO composites nanoparticles brought forth polycrystalline two-phase ZnO-MgO and ZnO-NiO nanoparticles of 40-80 nm in diameters. ZnO, MgO and NiO were crystallized into würtzite and rock salt structures, respectively. The optical properties of ZnO-MgO and ZnO-NiO nanoparticles were obtained by solid state UV and solid state florescent. The XRD, SEM and Raman spectroscopies of these nanoparticles were analyzed.

Effect of MgO on Liquidus Temperatures in the ZnO-"FeO"-Al2O3-CaO-SiO2-MgO System in Equilibrium with Metallic Iron

NASA Astrophysics Data System (ADS)

Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

2011-06-01

The phase equilibria in the ZnO-"FeO"-Al2O3-CaO-SiO2-MgO system have been determined experimentally in equilibrium with metallic iron. Synthetic slags were equilibrated at a high temperature, quenched, and then the compositions of the phases in equilibrium were measured using electron probe X-ray microanalysis. Pseudoternary sections of the form ZnO-"FeO"-(Al2O3 + CaO + SiO2) for CaO/SiO2 = 0.71, (CaO + SiO2)/Al2O3 = 5 and fixed MgO concentrations of 2, 4, and 6 wt pct have been constructed. Wustite (Fe2+,Mg,Zn)O and spinel (Fe2+,Mg,Zn)O·(Al,Fe3+)2O3 are the major primary phases in the temperature and composition ranges investigated. The liquidus temperatures are increased by 140 K in the wustite primary phase field and by 70 K in the spinel primary phase field with the addition of 6 wt pct MgO in the slag. The partitioning of MgO and ZnO between the solid and liquid phases has been discussed.

Magnetic anisotropy modulation of epitaxial Fe3O4 films on MgO substrates

NASA Astrophysics Data System (ADS)

Chichvarina, O.; Herng, T. S.; Xiao, W.; Hong, X.; Ding, J.

2015-05-01

Fe3O4 has been widely studied because of its great potential in spintronics and other applications. As a magnetic electrode, it is highly desired if magnetic anisotropy can be controlled. Here, we report the results from our systematic study on the magnetic properties of magnetite (Fe3O4) thin films epitaxially grown on various MgO substrates. Strikingly, we observed a prominent perpendicular magnetic anisotropy in Fe3O4 film deposited on MgO (111) substrate. When measured in out-of-plane direction, the film (40 nm thick) exhibits a well-defined square hysteresis loop with coercivity (Hc) above 1 kOe, while much lower coercivity was obtained in the in-plane orientation. In sharp contrast, the films deposited onto MgO (100) and MgO (110) substrates show in-plane magnetic anisotropy. These films exhibit a typical soft magnet characteristic—Hc lies within the range of 200-400 Oe. All the films showed a clear Verwey transition near 120 K—a characteristic of Fe3O4 material. In addition, a series of magnetoresistance (MR) measurements is performed and the MR results are in good agreement with the magnetic observations. The role of the substrate orientation and film thickness dependency is also investigated.

Origins and implications of the ordering of oxygen vacancies and localized electrons on partially reduced CeO 2(111)

DOE PAGES

Sutton, Jonathan E.; Beste, Ariana; Steven H. Overbury

2015-10-12

In this study, we use density functional theory to explain the preferred structure of partially reduced CeO 2(111). Low-energy ordered structures are formed when the vacancies are isolated (maximized intervacancy separation) and the size of the Ce 3+ ions is minimized. Both conditions help minimize disruptions to the lattice around the vacancy. The stability of the ordered structures suggests that isolated vacancies are adequate for modeling more complex (e.g., catalytic) systems. Oxygen diffusion barriers are predicted to be low enough that O diffusion between vacancies is thermodynamically controlled at room temperature. The O-diffusion-reaction energies and barriers are decreased when onemore » Ce f electron hops from a nearest-neighbor Ce cation to a next-nearest-neighbor Ce cation, with a barrier that has been estimated to be slightly less than the barrier to O diffusion in the absence of polaron hopping. In conculsion, this indicates that polaron hopping plays a key role in facilitating the overall O diffusion process, and depending on the relative magnitudes of the polaron hopping and O diffusion barriers, polaron hopping may be the kinetically limiting process.« less

Influences of Na2O and K2O Additions on Electrical Conductivity of CaO-MgO-Al2O3-SiO2 Melts

NASA Astrophysics Data System (ADS)

Zhang, Guo-Hua; Zheng, Wei-Wei; Chou, Kuo-Chih

2017-04-01

The present study investigated the influences of Na2O and K2O additions on electrical conductivity of blast furnace type CaO-MgO-Al2O3-SiO2 melts by the four-electrode method. Both the single addition of Na2O or K2O and the double additions of Na2O and K2O were studied. It was found that electrical conductivity monotonously increased as the amount of Na2O addition was gradually increased, whereas, when K2O was added, there was a continuous decrease of electrical conductivity. With melts containing both Na2O and K2O, electrical conductivity first decreased but then increased when Na2O was gradually substituted for K2O while keeping the molar fractions of other components constant. In other words, the mixed-alkali effect took place in CaO-Mg-Al2O3-SiO2-ΣR2O melts.

Selective Adsorption Resonances in the Scattering of n-H2 p-H2 n-D2 and o-D2 from Ag(111)

NASA Astrophysics Data System (ADS)

Yu, Chien-Fan; Whaley, K. Birgitta; Hogg, Charles S.; Sibener, Steven J.

1983-12-01

Diffractive and rotationally mediated selective adsorption scattering resonances are reported for n-H2 p-H2 n-D2 and o-D2 on Ag(111). Small resonance shifts and line-width differences are observed between n-H2 and p-H2 indicating a weak orientation dependence of the laterally averaged H2/Ag(111) potential. The p-H2 and o-D2 levels were used to determine the isotropic component of this potential, yielding a well depth of ~ 32 meV.

Effect of CaO on the selectivity of N2O decomposition products: A combined experimental and DFT study

NASA Astrophysics Data System (ADS)

Wu, Lingnan; Hu, Xiaoying; Qin, Wu; Gao, Pan; Dong, Changqing; Yang, Yongping

2016-09-01

The effect of CaO on N2O decomposition and the selectivity of its decomposition products (NO and N2) was investigated using a fixed-bed flow reactor with varying temperatures from 317 °C to 947 °C. The selectivity of NO from CaO-catalyzed N2O decomposition is much lower than the N2 selectivity with the N2/NO products ratio greater than 12.1. Compared to N2O homogeneous decomposition with the minimum N2/NO products ratio of 6.2 at 718 °C, CaO also decreases the NO selectivity from 718 °C to 947 °C. Density functional theory calculations provide possible N2O decomposition routes on the CaO (1 0 0) surface considering both N2 and NO as N2O decomposition products. The N2 formation route is more favorable than the NO formation route in terms of energy barrier and reaction energy, and NO formation on the CaO (1 0 0) surface is likely to proceed via N2O + Osurf2- → N2 + O2 , surf2- and N2O + O2 , surf2- → 2NO + Osurf2-.

The effect of SiO2, Pt, and Pt /Au templates on the microstructure and permittivity of BaxSr1-xTiO3 films

NASA Astrophysics Data System (ADS)

Rundqvist, Pär; Liljenfors, Tomas; Vorobiev, Andrei; Olsson, Eva; Gevorgian, Spartak

2006-12-01

Ba0.25Sr0.75TiO3 (BSTO) and SrTiO3 (STO) ferroelectric thin films were grown on templates of SiO2/Si, Pt /TiO2/SiO2/Si, and Pt /Au/Pt/TiO2/SiO2/Si using pulsed laser deposition. The microstructure and surface morphology of the multilayer stacks were studied using x-ray diffraction, atomic force microscopy, and transmission electron microscopy. The microstructural analysis shows that the ferroelectric films are polycrystalline textured with a columnar structure where the grain size is 50-100nm. The BSTO films deposited at 800°C on an amorphous SiO2/Si template reveal a textured structure with a dominant (110) orientation, which is explained by a dominant growth of BSTO (110) grains due to the lower surface energy of the (110) phase. The STO and BSTO films deposited at 650°C on the Pt /TiO2/SiO2/Si and Pt /Au/Pt/TiO2/SiO2/Si templates, respectively, reveal a structure with a dominant (111) orientation, which is explained by the dominant growth of BSTO (STO) (111) grains imposed by the underlying Pt (111) texture. In all cases the ferroelectric films are subject to compressive in-plane strain which is different for different grain orientations. Strain modified permittivities of ferroelectric films grown on different templates are calculated from first principles for different orientations and compared with measured results. The correlations between grain orientations, grain sizes, grain boundaries, strain, and dielectric permittivity of ferroelectric films on different templates are discussed.

Effects of Al2O3 and CaO/SiO2 Ratio on Phase Equilbria in the ZnO-"FeO"-Al2O3-CaO-SiO2 System in Equilibrium with Metallic Iron

NASA Astrophysics Data System (ADS)

Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

2011-02-01

The phase equilibria and liquidus temperatures in the ZnO-"FeO"-Al2O3-CaO-SiO2 system in equilibrium with metallic iron have been determined experimentally in the temperature range 1383 K to 1573 K (1150 °C to 1300 °C). The experimental conditions were selected to characterize lead blast furnace and imperial smelting furnace slags. The results are presented in a form of pseudoternary sections ZnO-"FeO"-(Al2O3 + CaO + SiO2) with fixed CaO/SiO2 and (CaO + SiO2)/Al2O3 ratios. It was found that wustite and spinel are the major primary phases in the composition range investigated. Effects of Al2O3 concentration as well as the CaO/SiO2 ratio on the primary phase field, the liquidus temperature, and the partitioning of ZnO between liquid and solid phases have been discussed for zinc-containing slags.

Variations of 17O/ 16O and 18O/ 16O in meteoric waters

NASA Astrophysics Data System (ADS)

Luz, Boaz; Barkan, Eugeni

2010-11-01

The variations of δ 17O and δ 18O in recent meteoric waters and in ice cores have proven to be an important tool for investigating the present and past hydrologic cycle. In order to close significant information gaps in the present distribution of δ 17O and δ 18O of meteoric water, we have run precise measurements, with respect to VSMOW, on samples distributed globally from low to high latitudes. Based on the new and existing data, we present the Global Meteoric Water Line (GMWL) for δ 17O and δ 18O as: ln(δ17O+1)=0.528ln(δ18O+1)+0.000033(R2=0.99999) In addition to meteoric water, we carried out the first measurements of seawater from the Pacific and Atlantic oceans with respect to VSMOW. The obtained results show that the slope of the trend line ln(δ 17O + 1) vs. ln(δ 18O + 1) of seawater samples is 0.528, the same as for meteoric water, but the regression intercept is -5 per meg. Thus, the positive intercept in the GMWL indicates an excess of 17O in meteoric waters with respect to the ocean. An excess (or depletion) of 17O in water is defined as: 17O-excess=ln(δ17O+1)-0.528(δ18O+1) Most meteoric water samples have positive 17O-excess of varying magnitudes with an average of 37 per meg with respect to VSMOW. We explain how these positive values originate from evaporation of sea water into marine air, which is undersaturated in water vapor, and how subsequent increase of 17O-excess occurs when atmospheric vapor condenses to form liquid and solid precipitation. We also clarify the effect of excessive evaporation on 17O-excess. Finally, based on the new results on 17O-excess of seawater we recalculated the relationship of δ 17O vs. δ 18O in vapor diffusion in air as 18α diff = 1.0096.

Analysis and theoretical modeling of 18O enriched carbon dioxide spectrum by CRDS near 1.35 μm: (II) 16O13C18O, 16O13C17O, 12C18O2, 17O12C18O, 12C17O2, 13C18O2 and 17O13C18O

NASA Astrophysics Data System (ADS)

Karlovets, E. V.; Campargue, A.; Kassi, S.; Tashkun, S. A.; Perevalov, V. I.

2017-04-01

This contribution is the second part of the analysis of the room temperature absorption spectrum of 18O enriched carbon dioxide by very high sensitivity Cavity Ring Down spectroscopy between 6977 and 7918 cm-1 (1.43-1.26 μm). Overall, more than 8600 lines belonging to 166 bands of eleven carbon dioxide isotopologues were rovibrationnally assigned. In a first part (Kassi et al. J Quant Spectrosc Radiat Transfer 187 (2017) 414-425, http://dx.doi.org/10.1016/j.jqsrt.2016.09.002), the results relative to mono-substituted isotopologues, 16O12C18O, 16O12C17O, 12C16O2 and 13C16O2, were presented. This second contribution is devoted to the multiply-substituted isotopologues or clumped isotopologues of particular importance in geochemistry: 16O13C18O, 16O13C17O, 12C18O2, 17O12C18O, 12C17O2, 13C18O2 and 17O13C18O. On the basis of the predictions of effective Hamiltonian models, a total of 3195 transitions belonging to 73 bands were rovibrationnally assigned for these seven species. Among the 73 observed bands, 55 are newly reported. All the identified bands correspond to ΔP=10 and 11 series of transitions, where P= 2V1+V2+3V3 is the polyad number (Vi are vibrational quantum numbers). The accurate spectroscopic parameters of 70 bands have been determined from the standard band-by-band analysis. Global fits of the measured line intensities of the ΔP=10 series of transitions of 17O12C18O and 16O13C18O and of the ΔP=11 series of transitions of 12C18O2, 17O12C18O, 16O13C18O and 13C18O2 were performed to determine the corresponding sets of the effective dipole moment parameters.

Enhanced ferro-and piezoelectric properties of Bi4Ti3O12-CaBi4Ti4O15 thin film on Pt(111)/Ti/SiO2/Si substrate

NASA Astrophysics Data System (ADS)

Yan, J.; Hu, G. D.

2018-05-01

Bi4Ti3O12-CaBi4Ti4O15 (BT-CBTi) film was fabricated on Pt(111)/Ti/SiO2/Si substrate by the sol-gel method. The intergrowth structure was demonstrated to be obtained both in the film and corresponding powder sample according to x-ray diffraction (XRD) patterns. The good fatigue resistance as well as a strong charge-retaining ability can be obtained in the intergrowth BT-CBTi film. The remanent polarization (P r ) and coercive field (E c ) for BT-CBTi film was about 28 μC cm‑2 and 150 kV cm‑1 under an electric field of 540 kV cm‑1, respectively. The P r value of purely (100)-oriented BT-CBTi film can be roughly estimated to be higher than 50 μC cm‑2 based on both the volume fraction of (100)-oriented grains and the piezoelectric properties. The P r value of BT-CBTi film is about 50 μC cm‑2 under an electric field of 1100 kV cm‑1 in predominently (100)-oriented BT-CBTi film. It means that it is reasonable to predict the performance of (100)-oriented BT-CBTi films based on the ferroelectric and piezoelectric properties of the polycrystalline BT-CBTi film. The spontaneous polarization is larger than 80 μC cm‑2 under an electric field of 1100 kV cm‑1.

Effect of Rb2O and Cs2O on Inclusion Removal in 321 Stainless Steels Using Novel Basic Tundish Fluxes

NASA Astrophysics Data System (ADS)

Choi, Kyunsuk; Kang, Youngjo; Sohn, Il

2016-06-01

Inclusion removal and modification of the 321 stainless steel using Rb2O- and Cs2O-containing novel basic tundish flux has been investigated. The average inclusion diameter was significantly lowered after reaction of the liquid metal with the flux after 45 minutes in an induction furnace set at 1823 K (1550 °C) under an Ar atmosphere. The number of inclusions was also decreased with increased reaction time and the majority of the inherent TiN inclusions were removed after reaction with the proposed novel basic tundish flux. Spinel inclusions were also observed after the reaction, which was due to the reaction of the MgO crucible and the CaO-Al2O3-SiO2-MgO-` x'wt pct R2O flux system at fixed CaO/(Al2O3 + SiO2) of 1.45. The Rb2O and Cs2O seemed to have allowed significant removal of the TiN inclusions due to its ion compensation effect and the supplement of free oxygen ions, while increasing the viscosity of the slag to retain the absorbed inclusions.

Effect of the CaO/SiO2 mass ratio and FeO content on the viscosity of CaO-SiO2-"FeO"-12wt%ZnO-3wt%Al2O3 slags

NASA Astrophysics Data System (ADS)

Lü, Jian-fang; Jin, Zhe-nan; Yang, Hong-ying; Tong, Lin-lin; Chen, Guo-bao; Xiao, Fa-xin

2017-07-01

An effective process for recycling lead from hazardous waste cathode ray tubes (CRTs) funnel glass through traditional lead smelting has been presented previously. The viscous behavior of the molten high lead slag, which is affected by the addition of funnel glass, plays a critical role in determining the production efficiency. Therefore, the viscosities of the CaO-SiO2-"FeO"-12wt%ZnO-3wt%Al2O3 slags were measured in the current study using the rotating spindle method. The slag viscosity decreases as the CaO/SiO2 mass ratio is increased from 0.8 to 1.2 and also as the FeO content is increased from 8wt% to 20wt%. The breaking temperature of the slag is lowered substantially by the addition of FeO, whereas the influence of the CaO/SiO2 mass ratio on the breaking temperature is complex. The structural analysis of quenched slags using Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy reveals that the silicate network structure is depolymerized with increasing CaO/SiO2 mass ratio or increasing FeO content. The [FeO6]-octahedra in the slag melt increase as the CaO/SiO2 mass ratio or the FeO content increases. This increase can further decrease the degree of polymerization (DOP) of the slag. Furthermore, the activation energy for viscous flow decreases both with increasing CaO/SiO2 mass ratio and increasing FeO content.

Preparation and characterization of magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts for biodiesel production

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

Feyzi, Mostafa, E-mail: Dalahoo2011@yahoo.com; Nanoscience and Nanotechnology Research Center; Nourozi, Leila

Graphical abstract: In this study, a series of magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts were prepared and tested for biodiesel production. The best operational conditions were CH3OH/oil = 12/1 at 60 °C with mechanical stirring, the biodiesel yield reaches to 81% in 4 h. Also notably, recovery of the catalyst can be achieved easily with the help of an external magnet with no need for expensive ultracentrifugation. - Highlights: • Effects of preparation conditions for biodiesel production were studied. • The CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} catalyst is efficient catalyst for biodiesel production. • The reaction conditions were foundmore » methanol/oil = 12/1, T = 60 °C. - Abstract: The magnetic CsH{sub 2}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} nanocatalysts were prepared via combination of sol–gel and impregnation methods. The effects of different H{sub 3}PW{sub 12}O{sub 40}/(Fe–SiO{sub 2}) weight percentage, loading of Cs as a promotor and calcination conditions on the catalytic performance has been studied. It was found that the catalyst with H{sub 3}PW{sub 12}O{sub 40}/Fe–SiO{sub 2} = 4 wt.% and Cs = 2 wt.% is an optimal catalyst for biodiesel production. The activity of optimal catalyst was studied in different operational conditions. The best operational conditions were CH{sub 3}OH/oil = 12/1 at 60 °C with mechanical stirring rate of 500 rpm and the biodiesel yield reaches to 81% in 4 h. Characterization of catalysts was carried out by using scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform-infrared spectroscopy (FT-IR), vibrating sample magnetometry (VSM), N{sub 2} adsorption–desorption measurements methods, Thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC)« less

Magnetic domain interactions of Fe3O4 nanoparticles embedded in a SiO2 matrix.

PubMed

Fuentes-García, J A; Diaz-Cano, A I; Guillen-Cervantes, A; Santoyo-Salazar, J

2018-03-23

Currently, superparamagnetic functionalized systems of magnetite (Fe 3 O 4 ) nanoparticles (NPs) are promising options for applications in hyperthermia therapy, drug delivery and diagnosis. Fe 3 O 4 NPs below 20 nm have stable single domains (SSD), which can be oriented by magnetic field application. Dispersion of Fe 3 O 4 NPs in silicon dioxide (SiO 2 ) matrix allows local SSD response with uniaxial anisotropy and orientation to easy axis, 90° <001> or 180° <111>. A successful, easy methodology to produce Fe 3 O 4 NPs (6-17 nm) has been used with the Stöber modification. NPs were embedded in amorphous and biocompatible SiO 2 matrix by mechanical stirring in citrate and tetraethyl orthosilicate (TEOS). Fe 3 O 4 NPs dispersion was sampled in the range of 2-12 h to observe the SiO 2 matrix formation as time function. TEM characterization identified optimal conditions at 4 h stirring for separation of SSD Fe 3 O 4 in SiO 2 matrix. Low magnetization (M s ) of 0.001 emu and a coercivity (H c ) of 24.75 Oe indicate that the embedded SSD Fe 3 O 4 in amorphous SiO 2 reduces the M s by a diamagnetic barrier. Magnetic force microscopy (MFM) showed SSD Fe 3 O 4 of 1.2 nm on average embedded in SiO 2 matrix with uniaxial anisotropy response according to Fe 3+ and Fe 2+ electron spin coupling and rotation by intrinsic Neél contribution.

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

Critical Evaluations and Thermodynamic Optimizations of the MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 Systems

NASA Astrophysics Data System (ADS)

Kang, Youn-Bae; Jung, In-Ho

2017-06-01

A critical evaluation and thermodynamic modeling for thermodynamic properties of all oxide phases and phase diagrams in the Fe-Mn-Si-O system (MnO-Mn2O3-SiO2 and FeO-Fe2O3-MnO-Mn2O3-SiO2 systems) are presented. Optimized Gibbs energy parameters for the thermodynamic models of the oxide phases were obtained which reproduce all available and reliable experimental data within error limits from 298 K (25°C) to above the liquidus temperatures at all compositions covering from known oxide phases, and oxygen partial pressure from metal saturation to 0.21 bar. The optimized thermodynamic properties and phase diagrams are believed to be the best estimates presently available. Slag (molten oxide) was modeled using the modified quasichemical model in the pair approximation. Olivine (Fe2SiO4-Mn2SiO4) was modeled using two-sublattice model in the framework of the compound energy formalism (CEF), while rhodonite (MnSiO3-FeSiO3) and braunite (Mn7SiO_{12} with excess Mn2O3) were modeled as simple Henrian solutions. It is shown that the already developed models and databases of two spinel phases (cubic- and tetragonal-(Fe, Mn)3O4) using CEF [Kang and Jung, J. Phys. Chem. Solids (2016), vol. 98, pp. 237-246] can successfully be integrated into a larger thermodynamic database to be used in practically important higher order system such as silicate. The database of the model parameters can be used along with a software for Gibbs energy minimization in order to calculate any type of phase diagram section and thermodynamic properties.

The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.

PubMed

Tereshchuk, Polina; Freire, Rafael L H; Ungureanu, Crina G; Seminovski, Yohanna; Kiejna, Adam; Da Silva, Juarez L F

2015-05-28

Despite extensive studies of transition metal (TM) clusters supported on ceria (CeO2), fundamental issues such as the role of the TM atoms in the change in the oxidation state of Ce atoms are still not well understood. In this work, we report a theoretical investigation based on static and ab initio molecular dynamics density functional theory calculations of the interaction of 13-atom TM clusters (TM = Pd, Ag, Pt, Au) with the unreduced CeO2(111) surface represented by a large surface unit cell and employing Hubbard corrections for the strong on-site Coulomb correlation in the Ce f-electrons. We found that the TM13 clusters form pyramidal-like structures on CeO2(111) in the lowest energy configurations with the following stacking sequence, TM/TM4/TM8/CeO2(111), while TM13 adopts two-dimensional structures at high energy structures. TM13 induces a change in the oxidation state of few Ce atoms (3 of 16) located in the topmost Ce layer from Ce(IV) (itinerant Ce f-states) to Ce(III) (localized Ce f-states). There is a charge flow from the TM atoms to the CeO2(111) surface, which can be explained by the electronegativity difference between the TM (Pd, Ag, Pt, Au) and O atoms, however, the charge is not uniformly distributed on the topmost O layer due to the pressure induced by the TM13 clusters on the underlying O ions, which yields a decrease in the ionic charge of the O ions located below the cluster and an increase in the remaining O ions. Due to the charge flow mainly from the TM8-layer to the topmost O-layer, the charge cannot flow from the Ce(IV) atoms to the O atoms with the same magnitude as in the clean CeO2(111) surface. Consequently, the effective cationic charge decreases mainly for the Ce atoms that have a bond with the O atoms not located below the cluster, and hence, those Ce atoms change their oxidation state from IV to III. This increases the size of the Ce(III) compared with the Ce(IV) cations, which builds-in a strain within the topmost Ce layer, and

First-Principles Thermodynamics Study of Spinel MgAl 2 O 4 Surface Stability

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

Cai, Qiuxia; Wang, Jian-guo; Wang, Yong

The surface stability of all possible terminations for three low-index (111, 110, 100) structures of the spinel MgAl2O4 has been studied using first-principles based thermodynamic approach. The surface Gibbs free energy results indicate that the 100_AlO2 termination is the most stable surface structure under ultra-high vacuum at T=1100 K regardless of Al-poor or Al-rich environment. With increasing oxygen pressure, the 111_O2(Al) termination becomes the most stable surface in the Al-rich environment. The oxygen vacancy formation is thermodynamically favorable over the 100_AlO2, 111_O2(Al) and the (111) structure with Mg/O connected terminations. On the basis of surface Gibbs free energies for bothmore » perfect and defective surface terminations, the 100_AlO2 and 111_O2(Al) are the most dominant surfaces in Al-rich environment under atmospheric condition. This is also consistent with our previously reported experimental observation. This work was supported by a Laboratory Directed Research and Development (LDRD) project of the Pacific Northwest National Laboratory (PNNL). The computing time was granted by the National Energy Research Scientific Computing Center (NERSC). Part of computing time was also granted by a scientific theme user proposal in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), which is a U.S. Department of Energy national scientific user facility located at PNNL in Richland, Washington.« less

Prototypical Organic–Oxide Interface: Intramolecular Resolution of Sexiphenyl on In 2O 3 (111)

DOE PAGES

Wagner, Margareta; Hofinger, Jakob; Setvin, Martin; ...

2018-03-28

The performance of an organic semiconductor device is critically determined by the geometric alignment, orientation, and ordering of the organic molecules. Although an organic multilayer eventually adopts the crystal structure of the organic material, the alignment and configuration at the interface with the substrate/electrode material are essential for charge injection into the organic layer. This work focuses on the prototypical organic semiconductor para-sexiphenyl (6P) adsorbed on In 2O 3(111), the thermodynamically most stable surface of the material that the most common transparent conducting oxide, indium tin oxide, is based on. The onset of nucleation and formation of the first monolayermore » are followed with atomically resolved scanning tunneling microscopy and noncontact atomic force microscopy (nc-AFM). Annealing to 200 °C provides sufficient thermal energy for the molecules to orient themselves along the high-symmetry directions of the surface, leading to a single adsorption site. The AFM data suggests an essentially planar adsorption geometry. With increasing coverage, the 6P molecules first form a loose network with a poor long-range order. Eventually, the molecules reorient into an ordered monolayer. In conclusion, this first monolayer has a densely packed, well-ordered (2 × 1) structure with one 6P per In 2O 3(111) substrate unit cell, that is, a molecular density of 5.64 × 10 13 cm –2.« less

Prototypical Organic–Oxide Interface: Intramolecular Resolution of Sexiphenyl on In 2O 3 (111)

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

Wagner, Margareta; Hofinger, Jakob; Setvin, Martin

The performance of an organic semiconductor device is critically determined by the geometric alignment, orientation, and ordering of the organic molecules. Although an organic multilayer eventually adopts the crystal structure of the organic material, the alignment and configuration at the interface with the substrate/electrode material are essential for charge injection into the organic layer. This work focuses on the prototypical organic semiconductor para-sexiphenyl (6P) adsorbed on In 2O 3(111), the thermodynamically most stable surface of the material that the most common transparent conducting oxide, indium tin oxide, is based on. The onset of nucleation and formation of the first monolayermore » are followed with atomically resolved scanning tunneling microscopy and noncontact atomic force microscopy (nc-AFM). Annealing to 200 °C provides sufficient thermal energy for the molecules to orient themselves along the high-symmetry directions of the surface, leading to a single adsorption site. The AFM data suggests an essentially planar adsorption geometry. With increasing coverage, the 6P molecules first form a loose network with a poor long-range order. Eventually, the molecules reorient into an ordered monolayer. In conclusion, this first monolayer has a densely packed, well-ordered (2 × 1) structure with one 6P per In 2O 3(111) substrate unit cell, that is, a molecular density of 5.64 × 10 13 cm –2.« less

Mechanistic Insights of Ethanol Steam Reforming over Ni–CeO x (111): The Importance of Hydroxyl Groups for Suppressing Coke Formation

DOE PAGES

Liu, Zongyuan; Duchoň, Tomáš; Wang, Huanru; ...

2015-07-30

We have studied the reaction of ethanol and water over Ni–CeO 2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on Ni–CeO 2-x(111) at varying Ce³⁺ concentrations (CeO 1.8–2.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria.more » Ni⁰ is the active phase leading to both the C–C and C–H cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni₃C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metal–support interaction between nickel and ceria that facilitates oxygen transfer.« less

Influence of cluster–support interactions on reactivity of size-selected Nb xO y clusters

DOE PAGES

Nakayama, Miki; Xue, Meng; An, Wei; ...

2015-04-17

Size-selected niobium oxide nanoclusters (Nb 3O 5, Nb 3O 7, Nb 4O 7, and Nb 4O 10) were deposited at room temperature onto a Cu(111) surface and a thin film of Cu 2O on Cu(111), and their interfacial electronic interactions and reactivity toward water dissociation were examined. These clusters were specifically chosen to elucidate the effects of the oxidation state of the metal centers; Nb 3O 5 and Nb 4O 7 are the reduced counterparts of Nb 3O 7 and Nb 4O 10, respectively. From two-photon photoemission spectroscopy (2PPE) measurements, we found that the work function increases upon cluster adsorptionmore » in all cases, indicating a negative interfacial dipole moment with the positive end pointing into the surface. The amount of increase was greater for the clusters with more metal centers and higher oxidation state. Additional analysis with DFT calculations of the clusters on Cu(111) indicated that the reduced clusters donate electrons to the substrate, indicating that the intrinsic cluster dipole moment makes a larger contribution to the overall interfacial dipole moment than charge transfer. X-ray photoelectron spectroscopy (XPS) measurements showed that the Nb atoms of Nb 3O 7 and Nb 4O 10 are primarily Nb 5+ on Cu(111), while for the reduced Nb 3O 5 and Nb 4O 7 clusters, a mixture of oxidation states was observed on Cu(111). Temperature-programmed desorption (TPD) experiments with D 2O showed that water dissociation occurred on all systems except for the oxidized Nb 3O 7 and Nb 4O 10 clusters on the Cu 2O film. A comparison of our XPS and TPD results suggests that Nb 5+ cations associated with Nb=O terminal groups act as Lewis acid sites which are key for water binding and subsequent dissociation. TPD measurements of 2-propanol dehydration also show that the clusters active toward water dissociation are indeed acidic. DFT calculations of water dissociation on Nb 3O 7 support our TPD results, but the use of bulk Cu 2O(111) as a model for the Cu 2O film merits

Phase Equilibria and Crystal Chemistry in Portions of the System SrO-CaO-Bi2O3-CuO, Part IV— The System CaO-Bi2O3-CuO

PubMed Central

Burton, B. P.; Rawn, C. J.; Roth, R. S.; Hwang, N. M.

1993-01-01

New data are presented on the phase equilibria and crystal chemistry of the binary systems CaO-Bi2O3 and CaO-CuO and the ternary CaO-Bi2O3-CuO. Symmetry data and unit cell dimensions based on single crystal and powder x-ray diffraction measurements are reported for several of the binary CaO-Bi2O3 phases, including corrected compositions for Ca4Bi6O13 and Ca2Bi2O5. The ternary system contains no new ternary phases which can be formed in air at ~700–900 °C. PMID:28053484

Investigation of radiation shielding properties for MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) glasses

NASA Astrophysics Data System (ADS)

Sayyed, M. I.; Çelikbilek Ersundu, M.; Ersundu, A. E.; Lakshminarayana, G.; Kostka, P.

2018-03-01

In this work, glasses in the MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) system, which show a great potential for optoelectronic applications, were used to evaluate their resistance under high energy ionizing radiations. The basic shielding quantities for determining the penetration of radiation in glass, such as mass attenuation coefficient (μ/ρ), half value layer (HVL), mean free path (MFP) and exposure buildup factor (EBF) values were investigated within the energy range 0.015 MeV ‒ 15 MeV using XCOM program and variation of shielding parameters were compared with different glass systems and ordinary concrete. From the derived results, it was determined that MeO-PbCl2-TeO2 (MeO = Bi2O3, MoO3, Sb2O3, WO3, ZnO) glasses show great potentiality to be used under high energy radiations. Among the studied glass compositions, Bi2O3 and WO3 containing glasses were found to possess superior gamma-ray shielding effectiveness.

Coadsorbed species explain the mechanism of methanol temperature-desorption on CeO 2(111)

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

Sutton, Jonathan E.; Steven H. Overbury; Beste, Ariana

2016-03-24

Here, we have used density functional theory calculations to investigate the temperature-programmed desorption (TPD) of methanol from CeO 2(111). For the first time, low-temperature water formation and high-temperature methanol desorption are explained by our calculations. High coverages of methanol, which correspond to experimental conditions, are required to properly describe these features of the TPD spectrum. We identify a mechanism for the low-temperature formation of water involving the dissociation of two methanol molecules on the same surface O atom and filling of the resulting surface vacancy with one of the methoxy products. After water desorption, methoxy groups are stabilized on themore » surface and react at higher temperatures to form methanol and formaldehyde by a disproportionation mechanism. Alternatively, the stabilized methoxy groups undergo sequential C–H scission reactions to produce formaldehyde. Calculated energy requirements and methanol/formaldehyde selectivity agree with the experimental data.« less

Effect of hydrogen coverage on hydrogenation of o-cresol on Pt(111)

NASA Astrophysics Data System (ADS)

Li, Yaping; Liu, Zhimin; Crossley, Steven P.; Jentoft, Friederike C.; Wang, Sanwu

2018-06-01

The conversion of phenolics over metal catalysts is an important process for upgrading biofuels. With density functional calculations, hydrogenation of o-cresol on the hydrogen-covered Pt(111) surface was investigated. The results show that the coverage of hydrogen plays a significant role in the reaction rate while it does not affect the reaction selectivity. The reaction barriers of the hydrogenation process leading to the formation of both 2-methyl-cyclohexanone (the intermediate product) and 2-methyl-cyclohexanol (the final product) at high H coverages (∼1 ML) are found to be smaller by 0.14-0.69 eV than those at lower H coverages (∼1/25 ML). After both hydrogen and cresol are adsorbed on Pt(111) from their initial gas phase state, the reaction energy of each hydrogenation step on the surface is also dependent on the hydrogen coverage. On the H-covered Pt(111) surface, most steps of hydrogenation involve exothermic reactions when the hydrogen coverage is high while they are endothermic reactions at low hydrogen coverages. The differences in reaction rate and reaction energy between high and low H coverages can be understood with the coverage-dependent bonding strength and configurations.

Zn2+ in-situ substitution behavior during the formation of BaTiO3 coatings from plasma-sprayed powders collected in liquid nitrogen

NASA Astrophysics Data System (ADS)

Liu, Zhe; Xing, Zhiguo; Wang, Haidou; Xue, Zifan; Chen, Shuying; Cui, Xiufang; Jin, Guo

2018-04-01

The dielectric performance of BaTiO3 ceramic coatings is enhanced significantly by the addition of ZnO. In this study, the maximum relative permittivity value (εr ≈ 923) was measured in BaTiO3 coatings with ZnO added at 6 wt%. The Curie temperature (Tc) was in the range of 111 °C-121 °C for all of the ZnO-modified BaTiO3 coatings. Tc shifted to low temperatures as the ZnO content increased. Detailed analyses were performed to determine the phase composition and optical band gaps of powders collected in liquid nitrogen, which showed that the Zn2+ ions were incorporated into the BaTiO3 lattice where they substituted into the Ti4+ sites, and the composite powders (BaTiO3 + 6 wt% ZnO) tolerated high temperatures in the plasma beam. In addition, some residual Zn accumulated in the grain boundary in the form of ZnO. X-ray diffraction and Raman spectroscopy showed that the substitution led to changes in the compositional and structural properties. The red shift in the optical band gap of BaTiO3 indicated that the ZnTi'' defects caused by the dopants acted as carriers in the doped BaTiO3 coatings.

The Evolutionary Divergence of Shiga Toxin-Producing Escherichia coli Is Reflected in Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR) Spacer Composition

PubMed Central

Yin, Shuang; Jensen, Mark A.; Bai, Jiawei; DebRoy, Chitrita; Barrangou, Rodolphe

2013-01-01

The Shiga toxin-producing Escherichia coli (STEC) strains, including those of O157:H7 and the “big six” serogroups (i.e., serogroups O26, O45, O103, O111, O121, and O145), are a group of pathogens designated food adulterants in the United States. The relatively conserved nature of clustered regularly interspaced short palindromic repeats (CRISPRs) in phylogenetically related E. coli strains makes them potential subtyping markers for STEC detection, and a quantitative PCR (qPCR)-based assay was previously developed for O26:H11, O45:H2, O103:H2, O111:H8, O121:H19, O145:H28, and O157:H7 isolates. To better evaluate the sensitivity and specificity of this qPCR method, the CRISPR loci of 252 O157 and big-six STEC isolates were sequenced and analyzed along with 563 CRISPR1 and 624 CRISPR2 sequences available in GenBank. General conservation of spacer content and order was observed within each O157 and big-six serogroup, validating the qPCR method. Meanwhile, it was found that spacer deletion, the presence of an insertion sequence, and distinct alleles within a serogroup are sources of false-negative reactions. Conservation of CRISPR arrays among isolates expressing the same flagellar antigen, specifically, H7, H2, and H11, suggested that these isolates share an ancestor and provided an explanation for the false positives previously observed in the qPCR results. An analysis of spacer distribution across E. coli strains provided limited evidence for temporal spacer acquisition. Conversely, comparison of CRISPR sequences between strains along the stepwise evolution of O157:H7 from its O55:H7 ancestor revealed that, over this ∼7,000-year span, spacer deletion was the primary force generating CRISPR diversity. PMID:23851088

The evolutionary divergence of Shiga toxin-producing Escherichia coli is reflected in clustered regularly interspaced short palindromic repeat (CRISPR) spacer composition.

PubMed

Yin, Shuang; Jensen, Mark A; Bai, Jiawei; Debroy, Chitrita; Barrangou, Rodolphe; Dudley, Edward G

2013-09-01

The Shiga toxin-producing Escherichia coli (STEC) strains, including those of O157:H7 and the "big six" serogroups (i.e., serogroups O26, O45, O103, O111, O121, and O145), are a group of pathogens designated food adulterants in the United States. The relatively conserved nature of clustered regularly interspaced short palindromic repeats (CRISPRs) in phylogenetically related E. coli strains makes them potential subtyping markers for STEC detection, and a quantitative PCR (qPCR)-based assay was previously developed for O26:H11, O45:H2, O103:H2, O111:H8, O121:H19, O145:H28, and O157:H7 isolates. To better evaluate the sensitivity and specificity of this qPCR method, the CRISPR loci of 252 O157 and big-six STEC isolates were sequenced and analyzed along with 563 CRISPR1 and 624 CRISPR2 sequences available in GenBank. General conservation of spacer content and order was observed within each O157 and big-six serogroup, validating the qPCR method. Meanwhile, it was found that spacer deletion, the presence of an insertion sequence, and distinct alleles within a serogroup are sources of false-negative reactions. Conservation of CRISPR arrays among isolates expressing the same flagellar antigen, specifically, H7, H2, and H11, suggested that these isolates share an ancestor and provided an explanation for the false positives previously observed in the qPCR results. An analysis of spacer distribution across E. coli strains provided limited evidence for temporal spacer acquisition. Conversely, comparison of CRISPR sequences between strains along the stepwise evolution of O157:H7 from its O55:H7 ancestor revealed that, over this ∼7,000-year span, spacer deletion was the primary force generating CRISPR diversity.

Structural and electrical properties of Pb(Zr ,Ti)O3 grown on (0001) GaN using a double PbTiO3/PbO bridge layer

NASA Astrophysics Data System (ADS)

Xiao, Bo; Gu, Xing; Izyumskaya, Natalia; Avrutin, Vitaliy; Xie, Jinqiao; Liu, Huiyong; Morkoç, Hadis

2007-10-01

Pb(Zr0.52Ti0.48)O3 films were deposited by rf magnetron sputtering on silicon-doped GaN(0001)/c-sapphire with a PbTiO3/PbO oxide bridge layer grown by molecular beam epitaxy. X-ray diffraction data showed the highly (111)-oriented perovskite phase in lead zirconate titanate (PZT) films with PbTiO3/PbO bridge layers, compared to the pyrochlore phase grown directly on GaN. The in-plane epitaxial relationships were found from x-ray pole figures to be PZT[112¯]‖GaN[11¯00] and PZT[11¯0]‖GaN[112¯0]. The polarization-electric field measurements revealed the ferroelectric behavior with remanent polarization of 30-40μC /cm2 and asymmetric hysteresis loops due to the depletion layer formed in GaN under reverse bias which resulted in a high negative coercive electric field (950kV/cm).

O2(a1Δ) Quenching In The O/O2/O3 System

NASA Astrophysics Data System (ADS)

Azyazov, V. N.; Mikheyev, P. A.; Postell, D.; Heaven, M. C.

2010-10-01

The development of discharge singlet oxygen generators (DSOG's) that can operate at high pressures is required for the power scaling of the discharge oxygen iodine laser. In order to achieve efficient high-pressure DSOG operation it is important to understand the mechanisms by which singlet oxygen (O2(a1Δ)) is quenched in these devices. It has been proposed that three-body deactivation processes of the type O2(a1Δ)+O+M→2O2+M provide significant energy loss channels. To further explore these reactions the physical and reactive quenching of O2(a1Δ) in O(3P)/O2/O3/CO2/He/Ar mixtures has been investigated. Oxygen atoms and singlet oxygen molecules were produced by the 248 nm laser photolysis of ozone. The kinetics of O2(a1Δ) quenching were followed by observing the 1268 nm fluorescence of the O2a1Δ-X3∑ transition. Fast quenching of O2(a1Δ) in the presence of oxygen atoms and molecules was observed. The mechanism of the process has been examined using kinetic models, which indicate that quenching by vibrationally excited ozone is the dominant reaction.

TiO2 Nanorod Arrays Based Self-Powered UV Photodetector: Heterojunction with NiO Nanoflakes and Enhanced UV Photoresponse.

PubMed

Gao, Yanyan; Xu, Jianping; Shi, Shaobo; Dong, Hong; Cheng, Yahui; Wei, Chengtai; Zhang, Xiaosong; Yin, Shougen; Li, Lan

2018-04-04

The self-powered ultraviolet photodetectors (UV PDs) have attracted increasing attention due to their potential applications without consuming any external power. It is important to obtain the high-performance self-powered UV PDs by a simple method for the practical application. Herein, TiO 2 nanorod arrays (NRs) were synthesized by hydrothermal method, which were integrated with p-type NiO nanoflakes to realize a high performance pn heterojunction for the efficient UV photodetection. TiO x thin film can improve the morphological and carrier transport properties of TiO 2 NRs and decrease the surface and defect states, resulting in the enhanced photocurrent of the devices. NiO/TiO 2 nanostructural heterojunctions show excellent rectifying characteristics (rectification ratio of 2.52 × 10 4 and 1.45 × 10 5 for NiO/TiO 2 NRs and NiO/TiO 2 NRs/TiO x , respectively) with a very low reverse saturation current. The PDs based on the heterojunctions exhibit good spectral selectivity, high photoresponsivity, and fast response and recovery speeds without external applied bias under the weak light radiation. The devices demonstrate good stability and repeatability under UV light radiation. The self-powered performance could be attributed to the proper built-in electric field of the heterojunction. TiO 2 NRs and NiO nanoflakes construct the well-aligned energy-band structure. The enhanced responsivity and detectivity for the devices with TiO x thin films is related to the increased interfacial charge separation efficiency, reduced carrier recombination, and relatively good electron transport of TiO 2 NRs.

Handbook of the Infrared Optical Properties of Al2O3. Carbon, MGO and ZrO2. Volume 1

DTIC Science & Technology

1975-06-04

8217’~~~ 4-A- O*M 0 4V = M2 WC0t~CX4QVC𔃼MMD om0’wow. 11 t*0 ***@gWW W y4N0’IDW4q4V Wool 0ý 0 000 0 0*9009o a@O o0 o0*90~0,#*too f.. 4 0+4**40 loo 140...approximately 0.85 + 5 percent. Section 111-2.4 contains the processed data for e (T) found in the literature for many specific varieties of carbons...and Newall, A. j.., "The Emissivities of Flame Soot Dispersions, " Comb . and Flame 16, 191 (1971). 2N-9 Twitty, J. T., Weinman, J. A., "Radiative

Comparative genomics of enterohemorrhagic Escherichia coli O145:H28 demonstrates a common evolutionary lineage with Escherichia coli O157:H7

USDA-ARS?s Scientific Manuscript database

Background Although serotype O157:H7 is the predominant enterohemorrhagic Escherichia coli (EHEC), outbreaks of non-O157 EHEC that cause severe foodborne illness, including hemolytic uremic syndrome have increased worldwide. In fact, non-O157 serotypes are now estimated to cause over half of all the...

Effect of bottom electrode on dielectric property of sputtered-(Ba,Sr)TiO{sub 3} films

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

Ito, Shinichi; Yamada, Tomoaki; Takahashi, Kenji

2009-03-15

(Ba{sub 0.5}Sr{sub 0.5})TiO{sub 3} (BST) films were deposited on (111)Pt/TiO{sub 2}/SiO{sub 2}/Al{sub 2}O{sub 3} substrates by rf sputtering. By inserting a thin layer of SrRuO{sub 3} in between BST film and (111)Pt electrode, the BST films grew fully (111)-oriented without any other orientations. In addition, it enables us to reduce the growth temperature of BST films while keeping the dielectric constant and tunability as high as those of BST films directly deposited on Pt at higher temperatures. The dielectric loss of the films on SrRuO{sub 3}-top substrates was comparable to that on Pt-top substrates for the same level of dielectricmore » constant. The results suggest that the SrRuO{sub 3} thin layer on (111)Pt electrode is an effective approach to growing highly crystalline BST films with (111) orientation at lower deposition temperatures.« less

H2 gas sensing properties of a ZnO/CuO and ZnO/CuO/Cu2O Heterostructures

NASA Astrophysics Data System (ADS)

Ababii, N.; Postica, V.; Hoppe, M.; Adelung, R.; Lupan, O.; Railean, S.; Pauporté, T.; Viana, B.

2017-03-01

The most important parameters of gas sensors are sensitivity and especially high selectivity to specific chemical species. To improve these parameters we developed sensor structures based on layered semiconducting oxides, namely CuO/Cu2O, CuO:Zn/Cu2O:Zn, NiO/ZnO. In this work, the ZnO/CuxO (where x = 1, 2) bi-layer heterostructure were grown via a simple synthesis from chemical solution (SCS) at relatively low temperatures (< 95 °C), representing a combination of layered n-type and p-type semiconducting oxides which are widely used as sensing material for gas sensors. The main advantages of the developed device structures are given by simplicity of the synthesis and technological cost-efficiency. Structural investigations showed high crystallinity of synthesized layers confirming the presence of zinc oxide nanostructures on the surface of the copper oxide film deposited on glass substrate. Structural changes in morphology of grown nanostructures induced by post-grown thermal annealing were observed by scanning electron microscopy (SEM) investigations, and were studied in detail. The influence of thermal annealing type on the optical properties was also investigated. As an example of practical applications, the ZnO/CuxO bi-layer heterojunctions and ZnO/CuO/Cu2O three-layered structures were integrated into sensor structures and were tested to different types of reducing gases at different operating temperatures (OPT), showing promising results for fabrication of selective gas sensors.

Synthesis of {111} Facet-Exposed MgO with Surface Oxygen Vacancies for Reactive Oxygen Species Generation in the Dark.

PubMed

Hao, Ying-Juan; Liu, Bing; Tian, Li-Gang; Li, Fa-Tang; Ren, Jie; Liu, Shao-Jia; Liu, Ying; Zhao, Jun; Wang, Xiao-Jing

2017-04-12

Seeking a simple and moderate route to generate reactive oxygen species (ROS) for antibiosis is of great interest and challenge. This work demonstrates that molecule transition and electron rearrangement processes can directly occur only through chemisorption interaction between the adsorbed O 2 and high-energy {111} facet-exposed MgO with abundant surface oxygen vacancies (SOVs), hence producing singlet oxygen and superoxide anion radicals without light irradiation. These ROS were confirmed by electron paramagnetic resonance, in situ Raman, and scavenger experiments. Furthermore, heat plays a crucial role for the electron transfer process to accelerate the formation of ·O 2 - , which is verified by temperature kinetic experiments of nitro blue tetrazolium reduction in the dark. Therefore, the presence of oxygen vacancy can be considered as an intensification of the activation process. The designed MgO is acquired in one step via constructing a reduction atmosphere during the combustion reaction process, which has an ability similar to that of noble metal Pd to activate molecular oxygen and can be used as an effective bacteriocide in the dark.

Investigation of an Escherichia coli O145 outbreak in a child day-care centre--extensive sampling and characterization of eae- and stx1-positive E. coli yields epidemiological and socioeconomic insight.

PubMed

Wahl, Erik; Vold, Line; Lindstedt, Bjørn A; Bruheim, Torkjel; Afset, Jan E

2011-09-08

On October 29th 2009 the health authorities in the city of Trondheim, Norway were alerted about a case of Shiga toxin-positive E. coli (STEC) O145 in a child with bloody diarrhoea attending a day-care centre. Symptomatic children in this day-care centre were sampled, thereby identifying three more cases. This initiated an outbreak investigation. A case was defined as a child attending the day-care centre, in whom eae- and stx1- but not stx2-positive E. coli O145:H28 was diagnosed from a faecal sample, with multilocus variable number of tandem repeat analysis (MLVA) profile identical to the index isolate. All 61 children, a staff of 14 in the day-care centre, and 74 close contacts submitted faecal samples. Staff and parents were interviewed about cases' exposure to foods and animals. Faecal samples from 31 ewes from a sheep herd to which the children were exposed were analyzed for E. coli O145. Sixteen cases were identified, from which nine presented diarrhoea but not haemolytic uremic syndrome (HUS). The attack rate was 0.26, and varied between age groups (0.13-0.40) and between the three day-care centre departments (0.20-0.50), and was significantly higher amongst the youngest children. Median duration of shedding was 20 days (0-71 days). Children were excluded from the day-care centre during shedding, requiring parents to take compassionate leave, estimated to be a minimum total of 406 days for all cases. Atypical enteropathogenic E. coli (aEPEC) were detected among 14 children other than cases. These isolates were genotypically different from the outbreak strain. Children in the day-care centre were exposed to faecal pollution from a sheep herd, but E. coli O145 was not detected in the sheep. We report an outbreak of stx1- and eae-positive STEC O145:H28 infection with mild symptoms among children in a day-care centre. Extensive sampling showed occurrence of the outbreak strain as well as other STEC and aEPEC strains in the outbreak population. MLVA-typing of the

Viscosity and Structure of CaO-SiO2-P2O5-FetO System with Varying P2O5 and FeO Content

NASA Astrophysics Data System (ADS)

Diao, Jiang; Gu, Pan; Liu, De-Man; Jiang, Lu; Wang, Cong; Xie, Bing

2017-10-01

A rotary viscosimeter and Raman spectrum were employed to measure the viscosity and structural information of the CaO-SiO2-P2O5-FetO system at 1673 K. The experimental data have been compared with the calculated results using different viscosity models. It shows that the National Physical Laboratory (NPL) and Pal models fit the CaO-SiO2-P2O5-FeOt system better. With the P2O5 content increasing from 5% to 14%, the viscosity increases from 0.12 Pa s to 0.27 Pa s. With the FeO content increasing from 30% to 40%, the viscosity decreases from 0.21 Pa s to 0.12 Pa s. Increasing FeO content makes the complicated molten melts become simple, and increasing P2O5 content will complicate the molten melts. The linear relation between viscosity and structure parameter Q(Si + P) was obtained by regression analysis. The calculated viscosity by using the optimized NPL and Pal model are almost identical with the fitted values.

Orientation-adjusted anomalous insulator-metal transition in NdNiO3/LaMnO3 bilayers

NASA Astrophysics Data System (ADS)

Pan, S. Y.; Shi, L.; Zhao, J. Y.; Zhou, S. M.; Xu, X. M.

2018-04-01

NdNiO3/LaMnO3 (NNO/LMO) bilayers were epitaxially grown on SrTiO3 (STO) substrates with different orientations by the polymer-assisted deposition technique. A well crystallization quality of the bilayers is confirmed by X-ray diffraction. Two consecutive transitions, an anomalous insulator-metal transition at ˜100 K followed by the typical metal-insulator transition at ˜171 K, are observed in the (001)-oriented NNO/LMO/STO bilayer. The anomalous insulator-metal transition temperature increases to 142 K for the (111)-oriented NNO/LMO/STO bilayer. Meanwhile, the magnetic properties of the NNO/LMO bilayers show an obvious difference with [100] and [111] orientations. Considering the different strain directions and the related oxygen octahedral distortion/rotation, it is suggested that the magnetic changes and the low-temperature anomalous insulator-metal transition in the NNO/LMO bilayers are attributed to the strong interlayer exchange coupling and charge transfer adjusted by the substrate orientation, which can be an effective technique to tune the properties of transition-metal oxide films.

Neutron diffraction study of the inverse spinels Co2TiO4 and Co2SnO4

NASA Astrophysics Data System (ADS)

Thota, S.; Reehuis, M.; Maljuk, A.; Hoser, A.; Hoffmann, J.-U.; Weise, B.; Waske, A.; Krautz, M.; Joshi, D. C.; Nayak, S.; Ghosh, S.; Suresh, P.; Dasari, K.; Wurmehl, S.; Prokhnenko, O.; Büchner, B.

2017-10-01

We report a detailed single-crystal and powder neutron diffraction study of Co2TiO4 and Co2SnO4 between the temperature 1.6 and 80 K to probe the spin structure in the ground state. For both compounds the strongest magnetic intensity was observed for the (111)M reflection due to ferrimagnetic ordering, which sets in below TN=48.6 and 41 K for Co2TiO4 and Co2SnO4 , respectively. An additional low intensity magnetic reflection (200)M was noticed in Co2TiO4 due to the presence of an additional weak antiferromagnetic component. Interestingly, from both the powder and single-crystal neutron data of Co2TiO4 , we noticed a significant broadening of the magnetic (111)M reflection, which possibly results from the disordered character of the Ti and Co atoms on the B site. Practically, the same peak broadening was found for the neutron powder data of Co2SnO4 . On the other hand, from our single-crystal neutron diffraction data of Co2TiO4 , we found a spontaneous increase of particular nuclear Bragg reflections below the magnetic ordering temperature. Our data analysis showed that this unusual effect can be ascribed to the presence of anisotropic extinction, which is associated to a change of the mosaicity of the crystal. In this case, it can be expected that competing Jahn-Teller effects acting along different crystallographic axes can induce anisotropic local strain. In fact, for both ions Ti3 + and Co3 +, the 2 tg levels split into a lower dx y level yielding a higher twofold degenerate dx z/dy z level. As a consequence, one can expect a tetragonal distortion in Co2TiO4 with c /a <1 , which we could not significantly detect in the present work.

Emission analysis of Tb3+ -and Sm3+ -ion-doped (Li2 O/Na2 O/K2 O) and (Li2 O + Na2 O/Li2 O + K2 O/K2 O + Na2 O)-modified borosilicate glasses.

PubMed

Naveen Kumar Reddy, B; Sailaja, S; Thyagarajan, K; Jho, Young Dahl; Sudhakar Reddy, B

2018-05-01

Four series of borosilicate glasses modified by alkali oxides and doped with Tb 3+ and Sm 3+ ions were prepared using the conventional melt quenching technique, with the chemical composition 74.5B 2 O 3 + 10SiO 2 + 5MgO + R + 0.5(Tb 2 O 3 /Sm 2 O 3 ) [where R = 10(Li 2 O /Na 2 O/K 2 O) for series A and C, and R = 5(Li 2 O + Na 2 O/Li 2 O + K 2 O/K 2 O + Na 2 O) for series B and D]. The X-ray diffraction (XRD) patterns of all the prepared glasses indicate their amorphous nature. The spectroscopic properties of the prepared glasses were studied by optical absorption analysis, photoluminescence excitation (PLE) and photoluminescence (PL) analysis. A green emission corresponding to the 5 D 4 → 7 F 5 (543 nm) transition of the Tb 3+ ions was registered under excitation at 379 nm for series A and B glasses. The emission spectra of the Sm 3+ ions with the series C and D glasses showed strong reddish-orange emission at 600 nm ( 4 G 5/2 → 6 H 7/2 ) with an excitation wavelength λ exci = 404 nm ( 6 H 5/2 → 4 F 7/2 ). Furthermore, the change in the luminescence intensity with the addition of an alkali oxide and combinations of these alkali oxides to borosilicate glasses doped with Tb 3+ and Sm 3+ ions was studied to optimize the potential alkali-oxide-modified borosilicate glass. Copyright © 2017 John Wiley & Sons, Ltd.

Optical properties of BaO added bioactive Na2O-CaO-P2O5 glasses

NASA Astrophysics Data System (ADS)

Edathazhe, Akhila B.; Shashikala, H. D.

2018-04-01

This paper deals with the effect of BaO addition on the optical properties of bioactive Na2O-CaO-P2O5 glasses for biomedical optics applications. The phosphate glasses with composition (26-x)Na2O-xBaO-29CaO-45P2O5 (x = 0, 5, 10, 15 mol%) have been prepared by melt-quenching technique at 1100°C. The refractive index of glasses increased with BaO content. The optical band gap and Urbach energy of synthesized glasses were derived from the optical absorption spectra by using UV-Visible spectrometer. The addition of 5 mol% of BaO increased the band gap energy of glasses due to the formation of ionic cross-links in the glass structure. The defect and interstitial bonds formation in theglasses decreased with BaO additions as indicated by reductions in the Urbach energy values. No such variations in the band gap and Urbach energy values of glasses were observed with BaO content from 5 to 15 mol%. The molar and oxide ion polarizability values were calculated from the band gap and molar volume of glasses. The increase in the calculated optical basicity and metallization criteria of glasses supported the rise in band gap energy values with BaO additions. As the melting temperature of glasses decreased from 1200 to 1100°C, the refractive index increased as supported by the measured density values. The band gap energy is not changed with melting temperature. The Urbach energy decreased with decrease in melting temperature in case of BaO-free Na2O-CaO-P2O5 glasses, whereas it increased in case of BaO added glasses due to the role of BaO as modifying oxide.

Aircraft Measurements of BrO, IO, Glyoxal, NO2, H2O, O2-O2 and Aerosol Extinction Profiles in the Tropics: Comparison with Aircraft-/Ship-Based in Situ and Lidar Measurements

NASA Technical Reports Server (NTRS)

Volkamer, R.; Baidar, S.; Campos, T. L.; Coburn, S.; DiGangi, J. P.; Dix, B.; Eloranta, E. W.; Koenig, T. K.; Morley, B.; Ortega, I.;

Effect of Initial FeO Content and CaO:SiO2 Ratio on the Reduction Smelting Kinetics of the CaO-SiO2-MgOsatd.-FeO Slag System

NASA Astrophysics Data System (ADS)

Kim, Jong Bae; Sohn, Il

2018-02-01

The effect of the initial FeO content and CaO:SiO2 ratio (CaO mass pct/SiO2 mass pct) on the reduction smelting of FeO with carbon flake addition is investigated in the CaO-MgOsatd.-SiO2-FeO slag system at 1823 K (1550 °C). Carbon rapidly reacted with FeO in the molten slag, causing both foaming and compositional changes in the slag. As FeO is reduced, the MgO saturation is modified, and solid precipitants, including MgO and other complex oxides, were observed, which significantly affected the slag properties, including the viscosity and foaming behavior. The solid-phase fraction and viscosity were estimated from changes in the measured FeO content over time using the thermochemical software FactSage. The iron recovery, which is distinguished from the amount of reduced Fe droplets, showed opposite behavior to the measured maximum foaming height and modified foaming index. According to the FeO mass transfer coefficient considering slag foaming at various initial FeO contents and CaO:SiO2 ratios, the reduction rate was optimal at higher initial FeO contents and a CaO:SiO2 ratio of 2.0, which did not correspond to the optimal iron recovery at an initial FeO content of 44 mass pct and above and a CaO:SiO2 ratio of 1.2. The results showed that slag foaming may increase the reduction kinetics, but the slag composition needs to be optimized for greater iron recovery.

Magnetic properties of solid solutions between BiCrO3 and BiGaO3 with perovskite structures

NASA Astrophysics Data System (ADS)

Belik, Alexei A.

2015-04-01

Magnetic properties of BiCr1-xGaxO3 perovskite-type solid solutions are reported, and a magnetic phase diagram is established. As-synthesized BiCrO3 and BiCr0.9Ga0.1O3 crystallize in a monoclinic (m) C2/c structure. The Néel temperature (TN) decreases from 111 K in BiCrO3 to 98 K in BiCr0.9Ga0.1O3, and spin-reorientation transition temperature increases from 72 K in BiCrO3 to 83 K in BiCr0.9Ga0.1O3. o-BiCr0.9Ga0.1O3 with a PbZrO3-type orthorhombic structure is obtained by heating m-BiCr0.9Ga0.1O3 up to 573 K in air; it shows similar magnetic properties with those of m-BiCr0.9Ga0.1O3. TN of BiCr0.8Ga0.2O3 is 81 K, and TN of BiCr0.7Ga0.3O3 is 63 K. Samples with x = 0.4, 0.5, 0.6 and 0.7 crystallize in a polar R3c structure. Long-range antiferromagnetic order with weak ferromagnetism is observed below TN = 56 K in BiCr0.6Ga0.4O3, TN = 36 K in BiCr0.5Ga0.5O3 and TN = 18 K in BiCr0.4Ga0.6O3. BiCr0.3Ga0.7O3 shows a paramagnetic behaviour because the Cr concentration is below the percolation threshold of 31%.

Kinetics of Valeric Acid Ketonization and Ketenization in Catalytic Pyrolysis on Nanosized SiO2 , γ-Al2 O3 , CeO2 /SiO2 , Al2 O3 /SiO2 and TiO2 /SiO2.

PubMed

Kulyk, Kostiantyn; Palianytsia, Borys; Alexander, John D; Azizova, Liana; Borysenko, Mykola; Kartel, Mykola; Larsson, Mats; Kulik, Tetiana

2017-07-19

Valeric acid is an important renewable platform chemical that can be produced efficiently from lignocellulosic biomass. Upgrading of valeric acid by catalytic pyrolysis has the potential to produce value added biofuels and chemicals on an industrial scale. Understanding the different mechanisms involved in the thermal transformations of valeric acid on the surface of nanometer-sized oxides is important for the development of efficient heterogeneously catalyzed pyrolytic conversion techniques. In this work, the thermal decomposition of valeric acid on the surface of nanoscale SiO 2 , γ-Al 2 O 3 , CeO 2 /SiO 2 , Al 2 O 3 /SiO 2 and TiO 2 /SiO 2 has been investigated by temperature-programmed desorption mass spectrometry (TPD MS). Fourier transform infrared spectroscopy (FTIR) has also been used to investigate the structure of valeric acid complexes on the oxide surfaces. Two main products of pyrolytic conversion were observed to be formed depending on the nano-catalyst used-dibutylketone and propylketene. Mechanisms of ketene and ketone formation from chemisorbed fragments of valeric acid are proposed and the kinetic parameters of the corresponding reactions were calculated. It was found that the activation energy of ketenization decreases in the order SiO 2 >γ-Al 2 O 3 >TiO 2 /SiO 2 >Al 2 O 3 /SiO 2 , and the activation energy of ketonization decreases in the order γ-Al 2 O 3 >CeO 2 /SiO 2 . Nano-oxide CeO 2 /SiO 2 was found to selectively catalyze the ketonization reaction. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evaluation of a multiplex real-time PCR method for detecting shiga toxin-producing Escherichia coli in beef and comparison to the U.S. Department of Agriculture Food Safety and Inspection Service Microbiology laboratory guidebook method.

PubMed

Fratamico, Pina M; Wasilenko, Jamie L; Garman, Bradley; Demarco, Daniel R; Varkey, Stephen; Jensen, Mark; Rhoden, Kyle; Tice, George

2014-02-01

The "top-six" non-O157 Shiga toxin-producing Escherichia coli (STEC) serogroups (O26, O45, O103, O111, O121, and O145) most frequently associated with outbreaks and cases of foodborne illnesses have been declared as adulterants in beef by the U.S. Department of Agriculture Food Safety and Inspection Service (FSIS). Regulatory testing in beef began in June 2012. The purpose of this study was to evaluate the DuPont BAX System method for detecting these top six STEC strains and strains of E. coli O157:H7. For STEC, the BAX System real-time STEC suite was evaluated, including a screening assay for the stx and eae virulence genes and two panel assays to identify the target serogroups: panel 1 detects O26, O111, and O121, and panel 2 detects O45, O103, O145. For E. coli O157:H7, the BAX System real-time PCR assay for this specific serotype was used. Sensitivity of each assay for the PCR targets was ≥1.23 × 10(3) CFU/ml in pure culture. Each assay was 100% inclusive for the strains tested (20 to 50 per assay), and no cross-reactivity with closely related strains was observed in any of the assays. The performance of the BAX System methods was compared with that of the FSIS Microbiology Laboratory Guidebook (MLG) methods for detection of the top six STEC and E. coli O157:H7 strains in ground beef and beef trim. Generally, results of the BAX System method were similar to those of the MLG methods for detecting non-O157 STEC and E. coli O157:H7. Reducing or eliminating novobiocin in modified tryptic soy broth (mTSB) may improve the detection of STEC O111 strains; one beef trim sample inoculated with STEC O111 produced a negative result when enriched in mTSB with 8 mg/liter novobiocin but was positive when enriched in mTSB without novobiocin. The results of this study indicate the feasibility of deploying a panel of real-time PCR assay configurations for the detection and monitoring of the top six STEC and E. coli O157:H7 strains in beef. The approach could easily be adapted

Effects of surface morphology of ZnO seed layers on growth of ZnO nanostructures prepared by hydrothermal method and annealing.

PubMed

Yim, Kwang Gug; Kim, Min Su; Leem, Jae-Young

2013-05-01

ZnO nanostructures were grown on Si (111) substrates by a hydrothermal method. Prior to growing the ZnO nanostructures, ZnO seed layers with different post-heat temperatures were prepared by a spin-coating process. Then, the ZnO nanostructures were annealed at 500 degrees C for 20 min under an Ar atmosphere. Scanning electron microscopy (SEM), X-ray diffraction (XRD), and photoluminescence (PL) were carried out at room temperature (RT) to investigate the structural and optical properties of the as-grown and annealed ZnO nanostructures. The surface morphologies of the seed layers changed from a smooth surface to a mountain chain-like structure as the post-heating temperatures increased. The as-grown and annealed ZnO nanostructures exhibited a strong (002) diffraction peak. Compared to the as-grown ZnO nanostructures, the annealed ZnO nanostructures exhibited significantly strong enhancement in the PL intensity ratio by almost a factor of 2.

Studies of ClO and BrO reactions important in the polar stratosphere: Kinetics and mechanism of the ClO+BrO and ClO+ClO reactions

NASA Technical Reports Server (NTRS)

Friedl, Randall R.; Sander, Stanley P.

1988-01-01

The reactions, BrO + ClO yields Br + ClOO (1a) yields Br + OClO (1b) yields BrCl + O2 (1c) and ClO + ClO yields Cl + CiOO (2a) yields Cl + OClO (2b) yields Cl2 + O2 (2c) yields (ClO)2 (2d) have assumed new importance in explaining the unusual springtime depletion of ozone observed in the Antarctic stratosphere. The mechanisms of these reactions involve the formation of metastable intermediates which subsequently decompose through several energetically allowed products providing the motivation to study these reactions using both the discharge flow-mass spectrometric and flash photolysis - ultraviolet absorption techniques. These methods have also been used to explore aspects of the kinetics and spectroscopy of the ClO dimer.

Evaluation of Rectoanal Mucosal Swab Sampling for Molecular Detection of Enterohemorrhagic Escherichia coli in Beef Cattle.

PubMed

Agga, Getahun E; Arthur, Terrance M; Hinkley, Susanne; Bosilevac, Joseph M

2017-04-01

Cattle are a primary reservoir of enterohemorrhagic Escherichia coli (EHEC), and contaminated beef products are a source of human infections. The U.S. Department of Agriculture Food Safety and Inspection Service declared seven EHEC serogroups (O26, O45, O103, O111, O121, O145, and O157) as adulterants in raw ground beef. Sampling a large number of animals for EHEC surveillance or evaluations of EHEC-focused preharvest interventions requires a convenient and robust sampling method. We evaluated the diagnostic performance of rectoanal mucosal swab (RAMS) for the detection of the top seven EHEC serogroups. Paired fecal grab (FG) and RAMS samples were collected from 176 beef cattle and tested using the NeoSEEK Shiga toxin-producing E. coli (STEC) confirmation method. The prevalence of virulence-associated genes (stx 1 , stx 2 , stx 2c , eae, and nleB) was higher in RAMS than in FG samples. The results of the two methods had poor agreement, as indicated by kappa statistics, for the detection of the seven serogroups. When FG and RAMS results were combined for comparison, RAMS was more sensitive than FG for the detection of serogroups O103 (82% versus 39%), O157 (75% versus 67%), and O45 (79% versus 73%) with similar sensitivity for the detection of serogroup O145 (67%). Serogroups O111 and O121 were detected from one and two samples, respectively, by FG and were not detected by RAMS. Serogroup O26 was not detected with either method. RAMS appears to be equivalent or superior to FG sampling for detection of the top seven EHEC serogroups in the feces of beef cattle with the NeoSEEK STEC confirmation test.

Structural characterization of hydrothermally synthesized MnO2 nanorods

NASA Astrophysics Data System (ADS)

A'yuni, D. Q.; Alkian, I.; Sya'diyah, F. K.; Kadarisman; Darari, A.; Gunawan, V.; Subagio, A.

2017-11-01

We prepared the hydrothermal method to synthesize MnO2 nanorods with controlled structure. KMnO4 and HCl with the various molar ratio (1:2,1:6,1:8) reacted at 160°C for three hours to form MnO2 nanorods. The study found that changing the molar ratio can control the structure and morphology of MnO2. The result revealed that MnO2 formed in nanorod microstructures with different crystallographic structure and phase composition of each molar ratio. The diffraction peaks observed at 2θ values of 28.9°, 37.8°, 40.9°, 49.7° and 60.5° respectively indexed to (110), (101), (200), (411) and (521) plane reflections of a tetragonal phase of β-MnO2 and α-MnO2. The characterization of the morphology showed that the diameters of nanorod microstructures of MnO2 ranging from 30 to 145 nm with length ranging from 0.5 to 3 μm. These MnO2 nanorods product would be potentially used in energy storage devices.

Aircraft measurements of BrO, IO, glyoxal, NO 2, H 2O, O 2–O 2 and aerosol extinction profiles in the tropics: comparison with aircraft-/ship-based in situ and lidar measurements

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

Volkamer, Rainer; Baidar, S.; Campos, T. L.

-based in situ cavity-enhanced DOAS and MAX-DOAS. Inside the marine boundary layer (MBL) no BrO was detected (smaller than 0.5 pptv), and 0.2–0.55 pptv IO and 32–36 pptv glyoxal were observed. The near-surface concentrations agree within 30% (IO) and 10% (glyoxal) between ship and aircraft. The BrO concentration strongly increased with altitude to 3.0 pptv at 14.5 km (RF12, 9.1 to 8.6° N; 101.2 to 97.4° W). At 14.5 km, 5–10 pptv NO 2 agree with model predictions and demonstrate good control over separating tropospheric from stratospheric absorbers (NO 2 and BrO). Our profile retrievals have 12–20 degrees of freedom (DoF) and up to 500 m vertical resolution. The tropospheric BrO vertical column density (VCD) was 1.5 × 10 13 molec cm –2 (RF12) and at least 0.5 × 10 13 molec cm –2 (RF17, 0–10 km, lower limit). Tropospheric IO VCDs correspond to 2.1 × 10 12 molec cm –2 (RF12) and 2.5 × 10 12 molec cm –2 (RF17) and glyoxal VCDs of 2.6 × 10 14 molec cm –2 (RF12) and 2.7 × 10 14 molec cm –2 (RF17). Surprisingly, essentially all BrO as well as the dominant IO and glyoxal VCD fraction was located above 2 km (IO: 58 ± 5%, 0.1–0.2 pptv; glyoxal: 52 ± 5%, 3–20 pptv). To our knowledge there are no previous vertically resolved measurements of BrO and glyoxal from aircraft in the tropical free troposphere. The atmospheric implications are briefly discussed. Future studies are necessary to better understand the sources and impacts of free tropospheric halogens and oxygenated hydrocarbons on tropospheric ozone, aerosols, mercury oxidation and the oxidation capacity of the atmosphere.« less

A kinetic study of the reactions FeO+ + O, Fe+.N2 + O, Fe+.O2 + O and FeO+ + CO: implications for sporadic E layers in the upper atmosphere.

PubMed

Woodcock, K R S; Vondrak, T; Meech, S R; Plane, J M C

2006-04-21

These gas-phase reactions were studied by pulsed laser ablation of an iron target to produce Fe(+) in a fast flow tube, with detection of the ions by quadrupole mass spectrometry. Fe(+).N(2) and Fe(+).O(2) were produced by injecting N(2) and O(2), respectively, into the flow tube. FeO(+) was produced from Fe(+) by addition of N(2)O, or by ligand-switching from Fe(+).N(2) following the addition of atomic O. The following rate coefficients were measured: k(FeO(+) + O --> Fe(+) + O(2), 186-294 K) = (3.2 +/- 1.5) x 10(-11); k(Fe(+).N(2) + O --> FeO(+)+ N(2), 294 K) = (4.6 +/- 2.5) x 10(-10); k(Fe(+).O(2) + O --> FeO(+) + O(2), 294 K) = (6.3 +/- 2.7) x 10(-11); and k(FeO(+) + CO --> Fe(+) + CO(2), 294 K) = (1.59 +/- 0.34) x 10(-10) cm(3) molecule(-1) s(-1), where the quoted uncertainties are a combination of the 1sigma standard errors in the kinetic data and the systematic experimental errors. The surprisingly slow reaction between FeO(+) and O is examined using ab initio quantum calculations of the relevant potential energy surfaces. The importance of this reaction for controlling the lifetime of sporadic E layers is then demonstrated using a model of the upper mesosphere and lower thermosphere.

Ab initio molecular dynamics simulations of low energy recoil events in MgO

NASA Astrophysics Data System (ADS)

Petersen, B. A.; Liu, B.; Weber, W. J.; Zhang, Y.

2017-04-01

Low-energy recoil events in MgO are studied using ab intio molecular dynamics simulations to reveal the dynamic displacement processes and final defect configurations. Threshold displacement energies, Ed, are obtained for Mg and O along three low-index crystallographic directions, [100], [110], and [111]. The minimum values for Ed are found along the [110] direction consisting of the same element, either Mg or O atoms. Minimum threshold values of 29.5 eV for Mg and 25.5 eV for O, respectively, are suggested from the calculations. For other directions, the threshold energies are considerably higher, 65.5 and 150.0 eV for O along [111] and [100], and 122.5 eV for Mg along both [111] and [100] directions, respectively. These results show that the recoil events in MgO are partial-charge transfer assisted processes where the charge transfer plays an important role. There is a similar trend found in other oxide materials, where the threshold displacement energy correlates linearly with the peak partial-charge transfer, suggesting this behavior might be universal in ceramic oxides.

Mechanism of C-C and C-H bond cleavage in ethanol oxidation reaction on Cu2O(111): a DFT-D and DFT+U study.

PubMed

Xu, Han; Miao, Bei; Zhang, Minhua; Chen, Yifei; Wang, Lichang

2017-10-04

The performance of transition metal catalysts for ethanol oxidation reaction (EOR) in direct ethanol fuel cells (DEFCs) may be greatly affected by their oxidation. However, the specific effect and catalytic mechanism for EOR of transition metal oxides are still unclear and deserve in-depth exploitation. Copper as a potential anode catalyst can be easily oxidized in air. Thus, in this study, we investigated C-C and C-H bond cleavage reactions of CH x CO (x = 1, 2, 3) species in EOR on Cu 2 O(111) using PBE+U calculations, as well as the specific effect of +U correction on the process of adsorption and reaction on Cu 2 O(111). It was revealed that the catalytic performance of Cu 2 O(111) for EOR was restrained compared with that of Cu(100). Except for the C-H cleavage of CH 2 CO, all the reaction barriers for C-C and C-H cleavage were higher than those on Cu(100). The most probable pathway for CH 3 CO to CHCO on Cu 2 O(111) was the continuous dehydrogenation reaction. Besides, the barrier for C-C bond cleavage increased due to the loss of H atoms in the intermediate. Moreover, by the comparison of the traditional GGA/PBE method and the PBE+U method, it could be concluded that C-C cleavage barriers would be underestimated without +U correction, while C-H cleavage barriers would be overestimated. +U correction was proved to be necessary, and the reaction barriers and the values of the Hubbard U parameter had a proper linear relationship.

Hierarchical LiMn2O4 Hollow Cubes with Exposed {111} Planes as High-Power Cathodes for Lithium-Ion Batteries.

PubMed

Wu, Yu; Cao, Chuanbao; Zhang, Junting; Wang, Lin; Ma, Xilan; Xu, Xingyan

2016-08-03

Hierarchical LiMn2O4 hollow cubes with exposed {111} planes have been synthesized using cube-shaped MnCO3 precursors, which are fabricated through a facile co-precipitation reaction. Without surface modification, the as-prepared LiMn2O4 exhibits excellent cyclability and superior rate capability. Surprisingly, even over 70% of primal discharge capacity can be maintained for up to 1000 cycles at 50 C, and with only about 72 s of discharge time the as-prepared materials can deliver initial discharge capacity of 96.5 mA h g(-1). What is more, the materials have 98.4% and 90.7% capacity retentions for up to 100 cycles at 5 C under the temperatures of 25 and 60 °C, respectively. The superior electrochemical performance can be attributed to the unique hierarchical and interior hollow structure, exposed {111} planes, and high-quality crystallinity.

Viscosity of TiO2-FeO-Ti2O3-SiO2-MgO-CaO-Al2O3 for High-Titania Slag Smelting Process

NASA Astrophysics Data System (ADS)

Hu, Kai; Lv, Xuewei; Li, Shengping; Lv, Wei; Song, Bing; Han, Kexi

2018-05-01

The present study demonstrates the dependence of viscosity on chemical composition and temperature of high-titania slag, a very important raw material for producing titanium dioxide. The results indicated that completely molten high-titania slag exhibits a viscosity of less than 1 dPa s with negligible dependence on temperature. However, it increases dramatically with decreasing temperature slightly below the critical temperature, i.e., the solidus temperature of the slag. Above the critical temperature, the slag samples displayed the same order of viscosity at 0.6 dPa s, regardless of their compositional variation. However, the FeO, CaO, and MgO were confirmed to decrease viscosity, while SiO2 and Ti2O3 increase it. The apparent activation energy for viscosity-temperature relation and liquidus temperature based on experiments and thermodynamic calculations are also presented. Conclusively, the critical temperatures of the slags are on average 15 K below their corresponding calculated liquidus temperatures. The increase in FeO content was found to considerably lower the critical temperature, while the increase in both Ti2O3 and TiO2 contents increases it. The main phases of the slag in solid state, as indicated by X-ray diffraction, are (Fe, Mg) x Ti y O5 (x + y = 3, pseudobrookite) and rutile.

Thermal conductivity of Ho2Ti2O7 along the [111] direction.

PubMed

Toews, W H; Zhang, Songtian S; Ross, K A; Dabkowska, H A; Gaulin, B D; Hill, R W

2013-05-24

Thermal transport measurements have been made on the spin-ice material Ho(2)Ti(2)O(7) in an applied magnetic field with both the heat current and the field parallel to the [111] direction for temperatures from 50 mK to 1.2 K. A large magnetic field >6 T is applied to suppress the magnetic contribution to the thermal conductivity in order to extract the lattice conductivity. The low field thermal conductivity thus reveals a magnetic field dependent contribution to the conductivity which both transfers heat and scatters phonons. We interpret these magnetic excitations as monopolelike excitations and describe their behavior via existing Debye-Hückel theory.

Structural, optical, and electrical properties of unintentionally doped NiO layers grown on MgO by plasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Budde, Melanie; Tschammer, Carsten; Franz, Philipp; Feldl, Johannes; Ramsteiner, Manfred; Goldhahn, Rüdiger; Feneberg, Martin; Barsan, Nicolae; Oprea, Alexandru; Bierwagen, Oliver

2018-05-01

NiO layers were grown on MgO(100), MgO(110), and MgO(111) substrates by plasma-assisted molecular beam epitaxy under Ni-flux limited growth conditions. Single crystalline growth with a cube-on-cube epitaxial relationship was confirmed by X-ray diffraction measurements for all used growth conditions and substrates except MgO(111). A detailed growth series on MgO(100) was prepared using substrate temperatures ranging from 20 °C to 900 °C to investigate the influence on the layer characteristics. Energy-dispersive X-ray spectroscopy indicated close-to-stoichiometric layers with an oxygen content of ≈ 47 at. % and ≈ 50 at. % grown under low and high O-flux, respectively. All NiO layers had a root-mean-square surface roughness below 1 nm, measured by atomic force microscopy, except for rougher layers grown at 900 °C or using molecular oxygen. Growth at 900 °C led to a significant diffusion of Mg from the substrate into the film. The relative intensity of the quasi-forbidden one-phonon Raman peak is introduced as a gauge of the crystal quality, indicating the highest layer quality for growth at low oxygen flux and high growth temperature, likely due to the resulting high adatom diffusion length during growth. The optical and electrical properties were investigated by spectroscopic ellipsometry and resistance measurements, respectively. All NiO layers were transparent with an optical bandgap around 3.6 eV and semi-insulating at room temperature. However, changes upon exposure to reducing or oxidizing gases of the resistance of a representative layer at elevated temperature were able to confirm p-type conductivity, highlighting their suitability as a model system for research on oxide-based gas sensing.

Phase Equilibria and Crystal Chemistry in Portions of the System SrO-CaO-Bi2O3-CuO, Part II—The System SrO-Bi2O3-CuO

PubMed Central

Roth, R. S.; Rawn, C. J.; Burton, B. P.; Beech, F.

1990-01-01

New data are presented on the phase equilibria and crystal chemistry of the binary systems Sr0-Bi203 and SrO-CuO and the ternary system SrO-Bi2O3-CuO. Symmetry data and unit cell dimensions based on single crystal and powder x-ray diffraction measurements are reported for all the binary SrO-Bi2O3 phases, including a new phase identified as Sr6Bi2O9. The ternary system contains at least four ternary phases which can be formed in air at ~900 °C. These are identified as Sr2Bi2CuO6, Sr8Bi4Cu5O19+x, Sr3Bi2Cu2O8 and a solid solution (the Raveau phase) which, for equilibrium conditions at ~900 °C, corresponds approximately to the formula Sr1.8−xBi2.2+xCu1±x/2Oz.(0.0⩽x⩽~0.15). Superconductivity in this phase apparently occurs only in compositions that correspond to negative values of x. Compositions that lie outside the equilibrium Raveau-phase field often form nearly homogeneous Raveau-phase products. Typically this occurs after relatively brief heat treatments, or in crystallization of a quenched melt. PMID:28179779

Synthesis of Nanoscale CaO-Al2O3-SiO2-H2O and Na2O-Al2O3-SiO2-H2O Using the Hydrothermal Method and Their Characterization

PubMed Central

Yang, Jingbin; Li, Dongxu; Fang, Yuan

2017-01-01

C-A-S-H (CaO-Al2O3-SiO2-H2O) and N-A-S-H (Na2O-Al2O3-SiO2-H2O) have a wide range of chemical compositions and structures and are difficult to separate from alkali-activated materials. Therefore, it is difficult to analyze their microscopic properties directly. This paper reports research on the synthesis of C-A-S-H and N-A-S-H particles with an average particle size smaller than 300 nm by applying the hydrothermal method. The composition and microstructure of the products with different CaO(Na2O)/SiO2 ratios and curing conditions were characterized using XRD, the RIR method, FTIR, SEM, TEM, and laser particle size analysis. The results showed that the C-A-S-H system products with a low CaO/SiO2 ratio were mainly amorphous C-A-S-H gels. With an increase in the CaO/SiO2 ratio, an excess of Ca(OH)2 was observed at room temperature, while in a high-temperature reaction system, katoite, C4AcH11, and other crystallized products were observed. The katoite content was related to the curing temperature and the content of Ca(OH)2 and it tended to form at a high-temperature and high-calcium environment, and an increase in the temperature renders the C-A-S-H gels more compact. The main products of the N-A-S-H system at room temperature were amorphous N-A-S-H gels and a small amount of sodalite. An increase in the curing temperature promoted the formation of the crystalline products faujasite and zeolite-P. The crystallization products consisted of only zeolite-P in the high-temperature N-A-S-H system and its content were stable above 70%. An increase in the Na2O/SiO2 ratio resulted in more non-bridging oxygen and the TO4 was more isolated in the N-A-S-H structure. The composition and microstructure of the C-A-S-H and N-A-S-H system products synthesized by the hydrothermal method were closely related to the ratio of the raw materials and the curing conditions. The results of this study increase our understanding of the hydration products of alkali-activated materials. PMID

Effect of TiO2, ZrO2, and TiO2-ZrO2 on the performance of CuO-ZnO catalyst for CO2 hydrogenation to methanol

NASA Astrophysics Data System (ADS)

Xiao, Jie; Mao, Dongsen; Guo, Xiaoming; Yu, Jun

2015-05-01

The influence of TiO2, ZrO2, and TiO2-ZrO2 mixed oxide on the catalytic performance of CuO-ZnO catalyst in the methanol synthesis from CO2 hydrogenation was studied. The catalysts were prepared by oxalate co-precipitation method and characterized by TGA, N2 adsorption, XRD, reactive N2O adsorption, XPS, H2-TPR, H2-TPD, and CO2-TPD techniques. Characterization results reveal that all the additives improve the CuO dispersion in the catalyst body and increase the Cu surface area and adsorption capacities of CO2 and H2. The results of catalytic test reveal that the additives increase both the CO2 conversion and methanol selectivity, and TiO2-ZrO2 mixed oxide is more effective than single components of TiO2 or ZrO2. Moreover, the activity of methanol synthesis is correlated directly with CO2 adsorption capacity over the catalysts.

Potassium-induced effect on structure and chemical activity of Cu xO/Cu(111) (x≤2) surface: A combined scanning tunneling microscopy and density functional theory study

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

Liu, Ping; An, Wei; Stacchiola, Dario

2015-10-16

Potassium (K) plays an essential role in promoting catalytic reaction in many established industrial catalytic processes. Here, we report a combined study using scanning tunneling microscopy (STM) and density functional theory (DFT) in understanding the effect of depositing K on the atomic and electronic structures as well as chemical activities of Cu xO/Cu(111) (x≤2). The DFT calculations observe a pseudomorphic growth of K on Cu xO/Cu(111) up to 0.19 monolayer (ML) of coverage, where K binds the surface via strong ionic interaction with chemisorbed oxygen and the relatively weak electrostatic interactions with copper ions, lower and upper oxygen on themore » Cu xO rings. The simulated STM pattern based on the DFT results agrees well with the experimental observations. The deposited K displays great impact on the surface electronic structure of Cu xO/Cu(111), which induces significant reduction in work function and leads to a strong electron polarization on the surface. The promotion of K on the surface binding properties is selective. It varies depending on the nature of adsorbates. According to our results, K has little effect on surface acidity, while it enhances the surface basicity significantly. As a consequence, the presence of K does not help for CO adsorption on Cu xO/Cu(111), but being able to accelerate the activation of CO 2. Thus, such promotion strongly depends on the combinations from both geometric and electronic effects. Our results highlight the origin of promoting effect of alkalis in the design of catalysts for the complex reactions.« less

Soft-template-synthesis of hollow CuO/Co3O4 composites for pseudo-capacitive electrode: A synergetic effect on electrochemical performance

NASA Astrophysics Data System (ADS)

Wang, Kuaibing; Lv, Bo; Wu, Hua; Luo, Xuefei; Xu, Jiangyan; Geng, Zhirong

2016-12-01

Hollow CuO/Co3O4 hybrids, which inherited from its coordination polymer precursor consisting of sheets layer and nanoparticles layer composites, were synthesized and characterized by SEM, EDX, XRD and XPS. To assess its electrochemical capacitive performances, cyclic voltammetry, galvanostatic charging-discharging measurements and A.C. impedance tests were performed successively. The CuO/Co3O4 hybrids had higher capacitance and lower charge transfer resistance than bare Co3O4 nanostructures, revealing that it provided a protection layer and produced a synergistic effect due to the existence of CuO layer. The distinct synergistic effect could be further confirmed by endurance cycling tests. The capacitance of the CuO/Co3O4 hybrids was 111% retained after 500 cycles at a charging rate of 1.0 A g-1 and remained an intense growth trend after 2000 cycles at scan rate of 200 mV s-1.

Air Plasma-Sprayed La2Zr2O7-SrZrO3 Composite Thermal Barrier Coating Subjected to CaO-MgO-Al2O3-SiO2 (CMAS)

NASA Astrophysics Data System (ADS)

Cai, Lili; Ma, Wen; Ma, Bole; Guo, Feng; Chen, Weidong; Dong, Hongying; Shuang, Yingchai

2017-08-01

La2Zr2O7-SrZrO3 composite thermal barrier coatings (TBCs) were prepared by air plasma spray (APS). The La2Zr2O7-SrZrO3 composite TBCs covered with calcium-magnesium-aluminum-silicate (CMAS) powder, as well as the powder mixture of CMAS and spray-dried La2Zr2O7-SrZrO3 composite powder, were heat-treated at 1250 °C in air for 1, 4, 8, and 12 h. The phase constituents and microstructures of the reaction products were characterized by x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy. Experimental results showed that the La2Zr2O7-SrZrO3 composite TBCs had higher CMAS resistance than 8YSZ coating. A dense new layer developed between CMAS and La2Zr2O7-SrZrO3 composite TBCs during interaction, and this new layer consisted mostly of apatite (Ca2La8(SiO4)6O2) and c-ZrO2. The newly developed layer effectively protected the La2Zr2O7-SrZrO3 composite TBCs from further CMAS attack.

H2O on Pt(111): structure and stability of the first wetting layer

NASA Astrophysics Data System (ADS)

Standop, Sebastian; Morgenstern, Markus; Michely, Thomas; Busse, Carsten

2012-03-01

We study the structure and stability of the first water layer on Pt(111) by variable-temperature scanning tunneling microscopy. We find that a high Pt step edge density considerably increases the long-range order of the equilibrium \\sqrt{37}\\times \\sqrt{37}{R25.3}°- and \\sqrt{39}\\times \\sqrt{39}{R16.1}°-superstructures, presumably due to the capability of step edges to trap residual adsorbates from the surface. Passivating the step edges with CO or preparing a flat metal surface leads to the formation of disordered structures, which still show the same structural elements as the ordered ones. Coadsorption of Xe and CO proves that the water layer covers the metal surface completely. Moreover, we determine the two-dimensional crystal structure of Xe on top of the chemisorbed water layer which exhibits an Xe-Xe distance close to the one in bulk Xe and a rotation angle of 90° between the close-packed directions of Xe and the close-packed directions of the underlying water layer. CO is shown to replace H2O on the Pt(111) surface as has been deduced previously. In addition, we demonstrate that tunneling of electrons into the antibonding state or from the bonding state of H2O leads to dissociation of the molecules and a corresponding reordering of the adlayer into a \\sqrt{3}\\times \\sqrt{3}{R30}°-structure. Finally, a so far not understood restructuring of the adlayer by an increased tunneling current has been observed.

Retention Model of TaO/HfO x and TaO/AlO x RRAM with Self-Rectifying Switch Characteristics.

PubMed

Lin, Yu-De; Chen, Pang-Shiu; Lee, Heng-Yuan; Chen, Yu-Sheng; Rahaman, Sk Ziaur; Tsai, Kan-Hsueh; Hsu, Chien-Hua; Chen, Wei-Su; Wang, Pei-Hua; King, Ya-Chin; Lin, Chrong Jung

2017-12-01

A retention behavior model for self-rectifying TaO/HfO x - and TaO/AlO x -based resistive random-access memory (RRAM) is proposed. Trapping-type RRAM can have a high resistance state (HRS) and a low resistance state (LRS); the degradation in a LRS is usually more severe than that in a HRS, because the LRS during the SET process is limited by the internal resistor layer. However, if TaO/AlO x elements are stacked in layers, the LRS retention can be improved. The LRS retention time estimated by extrapolation method is more than 5 years at room temperature. Both TaO/HfO x - and TaO/AlO x -based RRAM structures have the same capping layer of TaO, and the activation energy levels of both types of structures are 0.38 eV. Moreover, the additional AlO x switching layer of a TaO/AlO x structure creates a higher O diffusion barrier that can substantially enhance retention, and the TaO/AlO x structure also shows a quite stable LRS under biased conditions.

Novel ZnO/MgO/Fe2O3 composite optomagnetic nanoparticles.

PubMed

Kamińska, I; Sikora, B; Fronc, K; Dziawa, P; Sobczak, K; Minikayev, R; Paszkowicz, W; Elbaum, D

2013-05-15

A facile sol-gel synthesis of novel ZnO/MgO/Fe2O3 nanoparticles (NPs) is reported and their performance is compared to that of ZnO/MgO. Powder x-ray diffraction (XRD) patterns reveal the crystal structure of the prepared samples. The average particle size of the sample was found to be 4.8 nm. The optical properties were determined by UV-vis absorption and fluorescence measurements. The NPs are stable in biologically relevant solutions (phosphate buffered saline (PBS), 20 mM, pH = 7.0) contrary to ZnO/MgO NPs which degrade in the presence of inorganic phosphate. Superparamagnetic properties were determined with a superconducting quantum interference device (SQUID). Biocompatible and stable in PBS ZnO/MgO/Fe2O3 core/shell composite nanocrystals show luminescent and magnetic properties confined to a single NP at room temperature (19-24 ° C), which may render the material to be potentially useful for biomedical applications.

Compositional dependence of bioactivity of glasses in the system Na2O-K2O-MgO-CaO-B2O3-P2O5-SiO2.

PubMed

Brink, M; Turunen, T; Happonen, R P; Yli-Urpo, A

1997-10-01

The bioactivity, i.e., bone-bonding ability, of 26 glasses in the system Na2O-K2O-MgO-CaO-B2O3-P2O5-SiO2 was studied in vivo. This investigation of bioactivity was performed to establish the compositional dependence of bioactivity, and enabled a model to be developed that describes the relation between reactions in vivo and glass composition. Reactions in vivo were investigated by inserting glass implants into rabbit tibia for 8 weeks. The glasses and the surrounding tissue were examined using scanning electron microscopy (SEM), light microscopy, and energy-dispersive X-ray analysis (EDXA). For most of the glasses containing < 59 mol % SiO2, SEM and EDXA showed two distinct layers at the glass surface after implantation, one silica-rich and another containing calcium phosphate. The build-up of these layers in vivo was taken as a sign of bioactivity. The in vivo experiments showed that glasses in the investigated system are bioactive when they contain 14-30 mol % alkali oxides, 14-30 mol % alkaline earth oxides, and < 59 mol % SiO2. Glasses containing potassium and magnesium bonded to bone in a similar way as bioactive glasses developed so far.

14 CFR 121.1500 - SFAR No. 111-Lavatory Oxygen Systems.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 14 Aeronautics and Space 3 2014-01-01 2014-01-01 false SFAR No. 111-Lavatory Oxygen Systems. 121... § 121.1500 SFAR No. 111—Lavatory Oxygen Systems. (a) Applicability. This SFAR applies to the following... disabled lavatory oxygen systems, modified in accordance with FAA Airworthiness Directive 2011-04-09...

Orientation-dependent structural and photocatalytic properties of LaCoO3 epitaxial nano-thin films

PubMed Central

Zhang, Yan-ping; Hu, Hai-long; Xie, Rui-shi; Ma, Guo-hua; Huo, Ji-chuan; Wang, Hai-bin

2018-01-01

LaCoO3 epitaxial films were grown on (100), (110) and (111) oriented LaAlO3 substrates by the polymer-assisted deposition method. Crystal structure measurement and cross-section observation indicate that all the LaCoO3 films are epitaxially grown in accordance with the orientation of LaAlO3 substrates, with biaxial compressive strain in the ab plane. Owing to the different strain directions of CoO6 octahedron, the mean Co–O bond length increases by different amounts in (100), (110) and (111) oriented films compared with that of bulk LaCoO3, and the (100) oriented LaCoO3 has the largest increase. Photocatalytic degradation of methyl orange indicates that the order of photocatalytic activity of the three oriented films is (100) > (111) > (110). Combined with analysis of electronic nature and band structure for LaCoO3 films, it is found that the change of the photocatalytic activity is closely related to the crystal field splitting energy of Co3+ and Co–O binding energy. The increase in the mean Co–O bond length will decrease the crystal field splitting energy of Co3+ and Co–O binding energy and further reduce the value of band gap energy, thus improving the photocatalytic activity. This may also provide a clue for expanding the visible-light-induced photocatalytic application of LaCoO3. PMID:29515854

Orientation-dependent structural and photocatalytic properties of LaCoO3 epitaxial nano-thin films

NASA Astrophysics Data System (ADS)

Zhang, Yan-ping; Liu, Hai-feng; Hu, Hai-long; Xie, Rui-shi; Ma, Guo-hua; Huo, Ji-chuan; Wang, Hai-bin

2018-02-01

LaCoO3 epitaxial films were grown on (100), (110) and (111) oriented LaAlO3 substrates by the polymer-assisted deposition method. Crystal structure measurement and cross-section observation indicate that all the LaCoO3 films are epitaxially grown in accordance with the orientation of LaAlO3 substrates, with biaxial compressive strain in the ab plane. Owing to the different strain directions of CoO6 octahedron, the mean Co-O bond length increases by different amounts in (100), (110) and (111) oriented films compared with that of bulk LaCoO3, and the (100) oriented LaCoO3 has the largest increase. Photocatalytic degradation of methyl orange indicates that the order of photocatalytic activity of the three oriented films is (100) > (111) > (110). Combined with analysis of electronic nature and band structure for LaCoO3 films, it is found that the change of the photocatalytic activity is closely related to the crystal field splitting energy of Co3+ and Co-O binding energy. The increase in the mean Co-O bond length will decrease the crystal field splitting energy of Co3+ and Co-O binding energy and further reduce the value of band gap energy, thus improving the photocatalytic activity. This may also provide a clue for expanding the visible-light-induced photocatalytic application of LaCoO3.

Orientation-dependent structural and photocatalytic properties of LaCoO3 epitaxial nano-thin films.

PubMed

Zhang, Yan-Ping; Liu, Hai-Feng; Hu, Hai-Long; Xie, Rui-Shi; Ma, Guo-Hua; Huo, Ji-Chuan; Wang, Hai-Bin

2018-02-01

LaCoO 3 epitaxial films were grown on (100), (110) and (111) oriented LaAlO 3 substrates by the polymer-assisted deposition method. Crystal structure measurement and cross-section observation indicate that all the LaCoO 3 films are epitaxially grown in accordance with the orientation of LaAlO 3 substrates, with biaxial compressive strain in the ab plane. Owing to the different strain directions of CoO 6 octahedron, the mean Co-O bond length increases by different amounts in (100), (110) and (111) oriented films compared with that of bulk LaCoO 3 , and the (100) oriented LaCoO 3 has the largest increase. Photocatalytic degradation of methyl orange indicates that the order of photocatalytic activity of the three oriented films is (100) > (111) > (110). Combined with analysis of electronic nature and band structure for LaCoO 3 films, it is found that the change of the photocatalytic activity is closely related to the crystal field splitting energy of Co 3+ and Co-O binding energy. The increase in the mean Co-O bond length will decrease the crystal field splitting energy of Co 3+ and Co-O binding energy and further reduce the value of band gap energy, thus improving the photocatalytic activity. This may also provide a clue for expanding the visible-light-induced photocatalytic application of LaCoO 3 .

Structural and growth aspects of electron beam physical vapor deposited NiO-CeO{sub 2} nanocomposite films

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

Kuanr, Sushil Kumar; K, Suresh Babu, E-mail: sureshbabu.nst@pondiuni.edu.in

2016-03-15

Deposition of composite materials as thin film by electron beam physical vapor deposition technique (EB-PVD) still remains as a challenge. Here, the authors report the deposition of NiO-CeO{sub 2} (30/70 wt. %) composites on quartz substrate by EB-PVD. Two NiO-CeO{sub 2} nanocomposite targets—one as green compact and the other after sintering at 1250 °C—were used for the deposition. Though the targets varied with respect to physical properties such as crystallite size (11–45 nm) and relative density (44% and 96%), the resultant thin films exhibited a mean crystallite size in the range of 20–25 nm underlining the role of physical nature of deposition. In spitemore » of the crystalline nature of the targets and similar elemental concentration, a transformation from amorphous to crystalline structure was observed in thin films on using sintered target. Postannealing of the as deposited film at 800 °C resulted in a polycrystalline structure consisting of CeO{sub 2} and NiO. Deposition using pure CeO{sub 2} or NiO as target resulted in the preferential orientation toward (111) and (200) planes, respectively, showing the influence of adatoms on the evaporation and growth process of NiO-CeO{sub 2} composite. The results demonstrate the influence of electron beam gun power on the adatom energy for the growth process of composite oxide thin films.« less

Phase Equilibria Studies in the System ZnO-``FeO''-Al2O3-CaO-SiO2 Relevant to Imperial Smelting Furnace Slags: Part I

NASA Astrophysics Data System (ADS)

Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

2010-04-01

The phase equilibria and liquidus temperatures in the system ZnO-“FeO”-Al2O3-CaO-SiO2 in equilibrium with metallic iron have been determined experimentally in the temperature range of 1423 K to 1553 K. The experimental conditions were focused on the composition range relevant to Imperial Smelting Furnace slags. The results are presented in the form of a pseudo-ternary section ZnO-“FeO”-(CaO + SiO2 + Al2O3) in which CaO/SiO2 = 0.93 and (CaO + SiO2)/Al2O3 = 7.0. It was found that wustite and spinel are the major primary phases and that zincite and melilite are also present in the composition range investigated. Wustite (Fe2+,Zn)O and spinel (Fe2+,Zn)O (A1,Fe3+)2O3 solid solutions are formed in this system, and the ZnO concentration in the spinel phase is found to be much greater than in the liquid phase.

O2(a1Δ) quenching in O/O2/O3/CO2/He/Ar mixtures

NASA Astrophysics Data System (ADS)

Azyazov, V. N.; Mikheyev, P. A.; Postell, D.; Heaven, M. C.

2010-02-01

The development of discharge singlet oxygen generators (DSOG's) that can operate at high pressures is required for the power scaling of the discharge oxygen iodine laser. In order to achieve efficient high-pressure DSOG operation it is important to understand the mechanisms by which singlet oxygen (O2(a1Δ)) is quenched in these devices. It has been proposed that three-body deactivation processes of the type O2(a1Δ))+O+M-->2O2+M provide significant energy loss channels. To further explore these reactions the physical and reactive quenching of O2(a1Δ)) in O(3P)/O2/O3/CO2/He/Ar mixtures has been investigated. Oxygen atoms and singlet oxygen molecules were produced by the 248 nm laser photolysis of ozone. The kinetics of O2(a1Δ)) quenching were followed by observing the 1268 nm fluorescence of the O2 a1Δ-X3Ε transition. Fast quenching of O2(a1Δ)) in the presence of oxygen atoms and molecules was observed. The mechanism of the process has been examined using kinetic models, which indicate that quenching by vibrationally excited ozone is the dominant reaction.

Numerical analysis and optimization of Cu2O/TiO2, CuO/TiO2, heterojunction solar cells using SCAPS

NASA Astrophysics Data System (ADS)

Sawicka-Chudy, Paulina; Sibiński, Maciej; Wisz, Grzegorz; Rybak-Wilusz, Elżbieta; Cholewa, Marian

2018-05-01

In the presented work, the Cu2O/TiO2 and CuO/TiO2 heterojunction solar cells have been analyzed by the help of Solar Cell Capacitance Simulator (SCAPS). The effects of various layer parameters like thickness and defect density on the cell performance have been studied in details. Numerical analysis showed how the absorber (CuO, Cu2O) and buffer (TiO2) layers thickness influence the short-circuit current density (Jsc) and efficiency (η) of solar cells. Optimized solar cell structures of Cu2O/TiO2 and CuO/TiO2 showed a potential efficiency of ∼9 and ∼23%, respectively, under the AM1.5G spectrum. Additionally, external quantum efficiency (EQE) curves of the CuO/TiO2 and Cu2O/TiO2 solar cells for various layers thickness of TiO2 were calculated and the optical band gap (Eg) for CuO and Cu2O was obtained. Finally, we examined the effects of defect density on the photovoltaic parameters.

14 CFR 121.1500 - SFAR No. 111-Lavatory Oxygen Systems.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 14 Aeronautics and Space 3 2013-01-01 2013-01-01 false SFAR No. 111-Lavatory Oxygen Systems. 121... § 121.1500 SFAR No. 111—Lavatory Oxygen Systems. (a) Applicability. This SFAR applies to the following persons: (1) All operators of transport category airplanes that are equipped with any chemical oxygen...

14 CFR 121.1500 - SFAR No. 111-Lavatory Oxygen Systems.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 3 2012-01-01 2012-01-01 false SFAR No. 111-Lavatory Oxygen Systems. 121... § 121.1500 SFAR No. 111—Lavatory Oxygen Systems. (a) Applicability. This SFAR applies to the following persons: (1) All operators of transport category airplanes that are equipped with any chemical oxygen...

Determining the role of TiO/VO in hot exoplanet atmospheres

NASA Astrophysics Data System (ADS)

Evans, Thomas

2016-10-01

The role of TiO and VO in ultra hot (>2000K) gas giant atmospheres is a major unresolved issue in the exoplanet field. At these temperatures, TiO and VO are known to be important absorbers in the atmospheres of M/L dwarfs and have been theorized to play an important role in irradiated gas giants. To date, however, TiO/VO has not been securely detected in a planetary atmosphere, despite numerous searches. One possibility is that the upper atmospheres of highly irradiated planets are typically depleted of TiO/VO by cold-trapping at lower altitudes or rain-out on the relatively cool nightside. Using WFC3 G141 and ground-based photometry, we have recently published a transmission spectrum for WASP-121b (T~2400K) showing new evidence for absorption by TiO/VO. Our observations also yielded a high confidence (5.4 sigma) detection of the 1.4 micron H2O absorption band. The TiO/VO claim, however, remains tentative, as it currently hinges upon broadband photometry measurements obtained from the ground at relatively low signal-to-noise. If TiO/VO is present it will have significant implications for the overall physics and chemistry of the atmosphere, including the likely production of a strong thermal inversion in the upper atmosphere. I will describe the follow-up observations we are currently pursuing in order to confirm or rule out TiO/VO in the atmosphere of WASP-121b and in doing so address a long-standing mystery of exoplanet atmospheres.

Enteroaggregative, Shiga Toxin-Producing Escherichia coli O111:H2 Associated with an Outbreak of Hemolytic-Uremic Syndrome

PubMed Central

Morabito, Stefano; Karch, Helge; Mariani-Kurkdjian, Patrizia; Schmidt, Herbert; Minelli, Fabio; Bingen, Edouard; Caprioli, Alfredo

1998-01-01

Shiga toxin-producing Escherichia coli O111:H2 strains from an outbreak of hemolytic-uremic syndrome showed aggregative adhesion to HEp-2 cells and harbored large plasmids which hybridized with the enteroaggregative E. coli probe PCVD432. These strains present a novel combination of virulence factors and might be as pathogenic to humans as the classic enterohemorrhagic E. coli. PMID:9508328

Bioactivity of gel-glass powders in the CaO-SiO2 system: a comparison with ternary (CaO-P2O5-SiO2) and quaternary glasses (SiO2-CaO-P2O5-Na2O).

PubMed

Saravanapavan, Priya; Jones, Julian R; Pryce, Russell S; Hench, Larry L

2003-07-01

Bioactive glasses react chemically with body fluids in a manner that is compatible with the repair processes of the tissues. This results in the formation of an interfacial bond between the glasses and living tissue. Bioactive glasses also stimulate bone-cell proliferation. This behavior is dependent on the chemical composition as well as the surface texture of the glasses. It has been recently reported that gel-derived monolith specimens in the binary SiO2 - CaO are bioactive over a similar molar range of SiO2 content as the previously studied ternary CaO-P2O5-SiO2 system. In this report, the preparation and bioactivity of the binary gel-glass powder with 70 mol % SiO2 is discussed and its bioactivity is compared with the melt-derived 45S5 (quaternary) Bioglass and sol-gel-derived 58S (ternary) bioactive gel-glass compositions. Dissolution kinetic parameters K(1) and K(2) were also computed based on the silicon release for all glass powders. It was shown that the simple two-component SiO2-CaO gel-glass powder is bioactive with comparable dissolution rates as the clinically used melt-derived 45S5 Bioglass powder and extensively studied sol-gel-derived 58S gel-glass powder. Copyright 2003 Wiley Periodicals, Inc.

Ab initio molecular dynamics simulations of low energy recoil events in MgO

DOE PAGES

Petersen, B. A.; Liu, B.; Weber, W. J.; ...

2017-01-11

In this paper, low-energy recoil events in MgO are studied using ab initio molecular dynamics simulations to reveal the dynamic displacement processes and final defect configurations. Threshold displacement energies, E d, are obtained for Mg and O along three low-index crystallographic directions, [100], [110], and [111]. The minimum values for E d are found along the [110] direction consisting of the same element, either Mg or O atoms. Minimum threshold values of 29.5 eV for Mg and 25.5 eV for O, respectively, are suggested from the calculations. For other directions, the threshold energies are considerably higher, 65.5 and 150.0 eVmore » for O along [111] and [100], and 122.5 eV for Mg along both [111] and [100] directions, respectively. These results show that the recoil events in MgO are partial-charge transfer assisted processes where the charge transfer plays an important role. Finally, there is a similar trend found in other oxide materials, where the threshold displacement energy correlates linearly with the peak partial-charge transfer, suggesting this behavior might be universal in ceramic oxides.« less

Corrosion Protection of Copper Using Al2O3, TiO2, ZnO, HfO2, and ZrO2 Atomic Layer Deposition.

PubMed

Daubert, James S; Hill, Grant T; Gotsch, Hannah N; Gremaud, Antoine P; Ovental, Jennifer S; Williams, Philip S; Oldham, Christopher J; Parsons, Gregory N

2017-02-01

Atomic layer deposition (ALD) is a viable means to add corrosion protection to copper metal. Ultrathin films of Al 2 O 3 , TiO 2 , ZnO, HfO 2 , and ZrO 2 were deposited on copper metal using ALD, and their corrosion protection properties were measured using electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV). Analysis of ∼50 nm thick films of each metal oxide demonstrated low electrochemical porosity and provided enhanced corrosion protection from aqueous NaCl solution. The surface pretreatment and roughness was found to affect the extent of the corrosion protection. Films of Al 2 O 3 or HfO 2 provided the highest level of initial corrosion protection, but films of HfO 2 exhibited the best coating quality after extended exposure. This is the first reported instance of using ultrathin films of HfO 2 or ZrO 2 produced with ALD for corrosion protection, and both are promising materials for corrosion protection.

Electric field induced lattice strain in pseudocubic Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-modified BaTiO{sub 3}-BiFeO{sub 3} piezoelectric ceramics

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

Fujii, Ichiro, E-mail: ifujii@rins.ryukoku.ac.jp; Iizuka, Ryo; Ueno, Shintaro

2016-04-25

Contributions to the piezoelectric response in pseudocubic 0.3BaTiO{sub 3}-0.1Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3}-0.6BiFeO{sub 3} ceramics were investigated by synchrotron X-ray diffraction under electric fields. All of the lattice strain determined from the 110, 111, and 200 pseudocubic diffraction peaks showed similar lattice strain hysteresis that was comparable to the bulk butterfly-like strain curve. It was suggested that the hysteresis of the lattice strain and the lack of anisotropy were related to the complex domain structure and the phase boundary composition.