Investigation of band offsets of interface BiOCl:Bi2WO6: a first-principles study (English)
- New search for: Wang, Weichao
- New search for: Wang, Weichao
- New search for: Yang, Wenjuan
- New search for: Chen, Rong
- New search for: Duan, Xianbao
- New search for: Tian, Yunlong
- New search for: Zeng, Dawen
- New search for: Shan, Bin
In:
Physical chemistry, chemical physics
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14
, 7
; 2450-2455
;
2012
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ISSN:
- Article (Journal) / Print
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Title:Investigation of band offsets of interface BiOCl:Bi2WO6: a first-principles study
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Contributors:Wang, Weichao ( author ) / Yang, Wenjuan / Chen, Rong / Duan, Xianbao / Tian, Yunlong / Zeng, Dawen / Shan, Bin
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Published in:Physical chemistry, chemical physics ; 14, 7 ; 2450-2455
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Publisher:
- New search for: The Royal Soc. of Chemistry
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Place of publication:Cambridge
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Publication date:2012
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Classification:
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Source:
Table of contents – Volume 14, Issue 7
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2105
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Front cover| 2012
- 2106
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Inside front cover| 2012
- 2107
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Contents list| 2012
- 2125
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Operando surface spectroscopy—placing catalytic solids at work under the spotlightArean, C. O. / Weckhuysen, B. M. / Zecchina, A. et al. | 2012
- 2128
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Operando and in situ Raman studies of alumina-supported vanadium phosphate catalysts in propane ammoxidation reaction: activity, selectivity and active phase formationMikolajska, Ewelina / Rasmussen, Søren B. / Lewandowska, Anna E. / Bañares, Miguel A. et al. | 2012
- 2137
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A large sample volume magic angle spinning nuclear magnetic resonance probe for in situ investigations with constant flow of reactantsHu, Jian Zhi / Sears, Jesse A. / Mehta, Hardeep S. / Ford, Joseph J. / Kwak, Ja Hun / Zhu, Kake / Wang, Yong / Liu, Jun / Hoyt, David W. / Peden, Charles H. F. et al. | 2012
- 2144
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Operando DRIFTS study of the redox and catalytic properties of CuO/Ce1−xTbxO2−δ (x = 0–0.5) catalysts: evidence of an induction step during CO oxidationMartínez-Arias, A. / Hungría, A. B. / Fernández-García, M. / Iglesias-Juez, A. / Soria, J. / Conesa, J. C. / Anderson, J. A. / Munuera, G. et al. | 2012
- 2144
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Operando DRIFTS study of the redox and catalytic properties of CuO/Ce1-xTbxO2-δ (xMartínez-Arias, A. et al. | 2012
- 2144
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Operando DRIFTS study of the redox and catalytic properties of CuO/Ce1-xTbxO2-d (x = 0-0.5) catalysts: evidence of an induction step during CO oxidationMartinez-Arias, A. / Hungria, A. B. / Fernandez-Garcia, M. / Iglesias-Juez, A. / Soria, J. / Conesa, J. C. / Anderson, J. A. / Munuera, G. et al. | 2012
- 2152
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Formation and oxidation mechanisms of Pd–Zn nanoparticles on a ZnO supported Pd catalyst studied by in situ time-resolved QXAFS and DXAFSUemura, Yohei / Inada, Yasuhiro / Niwa, Yasuhiro / Kimura, Masao / Bando, Kyoko K. / Yagishita, Akira / Iwasawa, Yasuhiro / Nomura, Masaharu et al. | 2012
- 2159
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An operando DRIFTS investigation into the resistance against CO2 poisoning of a Rh/alumina catalyst during toluene hydrogenationScalbert, Julien / Meunier, Frederic C. / Daniel, Cecile / Schuurman, Yve et al. | 2012
- 2164
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HERFD XAS/ATR-FTIR batch reactor cellMakosch, Martin / Kartusch, Christiane / Sá, Jacinto / Duarte, Renata Bessa / van Bokhoven, Jeroen A. / Kvashnina, Kristina / Glatzel, Pieter / Fernandes, Daniel L. A. / Nachtegaal, Maarten / Kleymenov, Evgeny et al. | 2012
- 2171
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Monitoring catalysts at work in their final form: spectroscopic investigations on a monolithic catalystRasmussen, Søren B. / Bañares, Miguel A. / Bazin, Philippe / Due-Hansen, Johanne / Ávila, Pedro / Daturi, Marco et al. | 2012
- 2178
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Silver-catalyzed low-temperature CO isotopic scrambling reaction: 12C16O + 13C18O → 12C18O + 13C16OLagunov, O. / Chakarova, K. / Hadjiivanov, K. et al. | 2012
- 2183
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Mechanistic investigations on dimethyl carbonate formation by oxidative carbonylation of methanol over a CuY zeolite: an operando SSITKA/DRIFTS/MS studyEngeldinger, Jana / Richter, Manfred / Bentrup, Ursula et al. | 2012
- 2192
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In situ characterization of Pt catalysts supported on ceria modified TiO2 for the WGS reaction: influence of ceria loadingBarrio, L. / Zhou, G. / González, I. D. / Estrella, M. / Hanson, J. / Rodriguez, J. A. / Navarro, R. M. / Fierro, J. L. G. et al. | 2012
- 2203
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Spectroscopic IR, EPR, and operando DRIFT insights into surface reaction pathways of selective reduction of NO by propene over the Co–BEA zeolitePietrzyk, Piotr / Dujardin, Christophe / Góra-Marek, Kinga / Granger, Pascal / Sojka, Zbigniew et al. | 2012
- 2216
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An operando Raman study of molecular structure and reactivity of molybdenum(vi) oxide supported on anatase for the oxidative dehydrogenation of ethaneTsilomelekis, George / Boghosian, Soghomon et al. | 2012
- 2229
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Low absorption vitreous carbon reactors for operando XAS: a case study on Cu/Zeolites for selective catalytic reduction of NOx by NH3Kispersky, Vincent F. / Kropf, A. Jeremy / Ribeiro, Fabio H. / Miller, Jeffrey T. et al. | 2012
- 2239
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Ethylene polymerization on a SiH4-modified Phillips catalyst: detection of in situ produced a-olefins by operando FT-IR spectroscopyBarzan, C. / Groppo, E. / Quadrelli, E. / Monteil, V. / Bordiga, S. et al. | 2012
- 2239
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Ethylene polymerization on a SiH4-modified Phillips catalyst: detection of in situ produced α-olefins by operando FT-IR spectroscopyBarzan, Caterina / Groppo, Elena / Quadrelli, Elsje Alessandra / Monteil, Vincent / Bordiga, Silvia et al. | 2012
- 2246
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Pb3+ radiation defects in Ca9Pb(PO4)6(OH)2 hydroxyapatite nanoparticles studied by high-field (W-band) EPR and ENDORYavkin, B. V. / Mamin, G. V. / Orlinskii, S. B. / Gafurov, M. R. / Salakhov, M. Kh. / Biktagirov, T. B. / Klimashina, Elena S. / Putlayev, V. I. / Tretyakov, Yu. D. / Silkin, N. I. et al. | 2012
- 2250
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Do monovalent mobile ions affect DNA's flexibility at high salt content?Savelyev, Alexey et al. | 2012
- 2255
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From synthetic to biogenic Mg-containing calcites: a comparative study using FTIR microspectroscopyLong, Xia / Nasse, Michael J. / Ma, Yurong / Qi, Limin et al. | 2012
- 2264
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Molecular dynamics calculation of molecular volumes and volumes of activationSpooner, J. / Wiebe, H. / Boon, N. / Deglint, E. / Edwards, E. / Yanciw, B. / Patton, B. / Thiele, L. / Dance, P. / Weinberg, N. et al. | 2012
- 2278
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A rotating disk electrode study of the particle size effects of Pt for the hydrogen oxidation reactionSun, Yu / Dai, Yu / Liu, Yuwen / Chen, Shengli et al. | 2012
- 2286
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Potential-induced phase transition of low-index Au single crystal surfaces in propylene carbonate solutionYoshimoto, Soichiro / Kim, Youn-Geun / Sato, Kazuhiro / Inukai, Junji / Itaya, Kingo et al. | 2012
- 2292
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Dipolar 3-methoxychromones as bright and highly solvatochromic fluorescent dyesKucherak, Oleksandr A. / Richert, Ludovic / Mély, Yve / Klymchenko, Andrey S. et al. | 2012
- 2301
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Homochiral oligopeptides by chiral amplification: interpretation of experimental data with a copolymerization modelBlanco, Celia / Hochberg, David et al. | 2012
- 2312
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Photo-controlled metal-ion (Zn2+ and Cd2+) release in aqueous Tween-20 micelle solutionZhang, Xu / Chen, Yi et al. | 2012
- 2317
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Cooperative effect of temperature and linker functionality on CO2 capture from industrial gas mixtures in metal–organic frameworks: a combined experimental and molecular simulation studyZhang, Wenjuan / Huang, Hongliang / Zhong, Chongli / Liu, Dahuan et al. | 2012
- 2326
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Intermolecular acetaldehyde and dimethoxymethane formation mechanisms via ethenol and methoxymethylene precursors in reactions of atomic carbon with methanol: a computational studyDede, Yavuz / Ozkan, Ilker et al. | 2012
- 2333
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Structure, reactivity, photoactivity and stability of Ti–O based materials: a theoretical comparisonWang, Yun / Sun, Tao / Yang, Dongjiang / Liu, Hongwei / Zhang, Haimin / Yao, Xiangdong / Zhao, Huijun et al. | 2012
- 2339
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Al3+ induced planarization, conformational arrest and metallochromic shift in a pyrimidine dione dye: insight from integrated hybrid quantum–classical calculationsSelvaraj, S. / Arul Murugan, N. / Ågren, H. et al. | 2012
- 2346
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Proton magnetic resonance imaging with para-hydrogen induced polarizationDechent, Jan F. / Buljubasich, Lisandro / Schreiber, Laura M. / Spiess, Hans W. / Münnemann, Kerstin et al. | 2012
- 2353
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Reduced Pd density of states in Pd/SAM/Au junctions: the role of adsorbed hydrogen atomsKučera, Jan / Groß, Axel et al. | 2012
- 2362
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Influence of hydrogen bonding on excitonic coupling and hierarchal structure of a light-harvesting porphyrin aggregateRich, Christopher C. / McHale, Jeanne L. et al. | 2012
- 2375
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The adsorption of quinizarin on boron-doped diamondDimov, Ivan B. / Batchelor-McAuley, Christopher / Aldous, Leigh / Compton, Richard G. et al. | 2012
- 2381
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Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulationsVan-Oanh, Nguyen-Thi / Falvo, Cyril / Calvo, Florent / Lauvergnat, David / Basire, Marie / Gaigeot, Marie-Pierre / Parneix, Pascal et al. | 2012
- 2391
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GCMC investigation into adamantane-based aromatic frameworks with diamond-like structure as high-capacity hydrogen storage materialsLi, Xiao-Dong / Zhang, Hong / Tang, Yong-Jian / Cheng, Xin-Lu et al. | 2012
- 2399
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A study of the atmospherically important reactions of dimethylsulfide (DMS) with I2 and ICl using infrared matrix isolation spectroscopy and electronic structure calculationsBeccaceci, Sonya / Armata, Nerina / Ogden, J. Steven / Dyke, John M. / Rhyman, Lydia / Ramasami, Ponnadurai et al. | 2012
- 2408
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Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methodsBultinck, Patrick / Van Neck, Dimitri / Acke, Guillaume / Ayers, Paul W. et al. | 2012
- 2417
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Gas-phase reactions of aryl radicals with 2-butyne: experimental and theoretical investigation employing the N-methyl-pyridinium-4-yl radical cationLam, A. K. Y. / Li, C. / Khairallah, G. / Kirk, B. B. / Blanksby, S. J. / Trevitt, A. J. / Wille, U. / O'Hair, R. A. J. / da Silva, G. et al. | 2012
- 2427
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Li self-diffusion in lithium niobate single crystals at low temperaturesRahn, J. / Hüger, E. / Dörrer, L. / Ruprecht, B. / Heitjans, P. / Schmidt, H. et al. | 2012
- 2434
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The role of the Auger parameter in XPS studies of nickel metal, halides and oxidesBiesinger, Mark C. / Lau, Leo W. M. / Gerson, Andrea R. / Smart, Roger St. C. et al. | 2012
- 2443
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The electrodeposition of silver composites using deep eutectic solventsAbbott, Andrew P. / Ttaib, Khalid El / Frisch, Gero / Ryder, Karl S. / Weston, David et al. | 2012
- 2450
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Investigation of band offsets of interface BiOCl:Bi2WO6: a first-principles studyWang, Weichao / Yang, Wenjuan / Chen, Rong / Duan, Xianbao / Tian, Yunlong / Zeng, Dawen / Shan, Bin et al. | 2012
- 2455
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Optically probing nanoemulsion compositionsZhu, Xiaoming / Fryd, Michael M. / Huang, Jung-Ren / Mason, Thomas G. et al. | 2012
- 2462
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A first-principles study of ultrathin nanofilms of MgO-supported TiNZhang, Ren-Qin / Kim, Chang-Eun / Delley, Bernard / Stampfl, Catherine / Soon, Aloysiu et al. | 2012
- 2468
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Mode specific photodissociation of CS2+via the A2Pu state: a time-sliced velocity map imaging studyZhang, C. / Li, J. / Zhang, Q. / Chen, Y. / Huang, C. / Yang, X. et al. | 2012
- 2468
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Mode specific photodissociation of CS2+via the A2Πu state: a time-sliced velocity map imaging studyZhang, Cuimei / Li, Jialin / Zhang, Qun / Chen, Yang / Huang, Cunshun / Yang, Xueming et al. | 2012
- 2475
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Nano-indentation of a room-temperature ionic liquid film on silica: a computational experimentBallone, P. / Del Pópolo, M. G. / Bovio, S. / Podestà, A. / Milani, P. / Manini, N. et al. | 2012
- 2483
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Hydration and interactions in protein solutions containing concentrated electrolytes studied by small-angle scatteringZhang, F. / Roosen-Runge, F. / Skoda, M. W. A. / Jacobs, R. M. J. / Wolf, M. / Callow, Ph. / Frielinghaus, H. / Pipich, V. / Prévost, S. / Schreiber, F. et al. | 2012
- 2494
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Finite-element simulations of the influence of pore wall adsorption on cyclic voltammetry of ion transfer across a liquid–liquid interface formed at a microporeEllis, Jonathan S. / Strutwolf, Jörg / Arrigan, Damien W. M. et al. | 2012
- 2501
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Internal energy deposition and ion fragmentation in atmospheric-pressure mid-infrared laser ablation electrospray ionizationNemes, Peter / Huang, Hehua / Vertes, Ako et al. | 2012
- 2508
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Confinement effects in the hydrogen adsorption on paddle wheel containing metal–organic frameworksGomez, Diego A. / Combariza, Aldo F. / Sastre, German et al. | 2012
- 2518
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Regioselectivity of aliphatic versus aromatic hydroxylation by a nonheme iron(ii)-superoxo complexLatifi, Reza / Tahsini, Laleh / Nam, Wonwoo / de Visser, Sam P. et al. | 2012
- 2525
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Back matter| 2012
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Back cover| 2012