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Interaction-Dependent Interfacial Charge-Transfer Behavior in Solar Water-Splitting Systems 期刊论文
NANO LETTERS, 2019, 卷号: 19, 期号: 2, 页码: 1234—1241
Authors:  Xie, GC;  Guan, LM;  Zhang, LJ;  Guo, BD;  Batool, A;  Xin, Q;  Boddula, R;  Jan, SU;  Gong, JR
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PHOTOCATALYTIC HYDROGEN-PRODUCTION  TOTAL-ENERGY CALCULATIONS  ELECTRON-TRANSFER  GRAPHITE OXIDE  BAND-GAP  REDUCTION  TIO2  EVOLUTION  RAMAN  PHOTOLUMINESCENCE  
A highly CO-tolerant atomically dispersed Pt catalyst for chemoselective hydrogenation 期刊论文
NATURE NANOTECHNOLOGY, 2019, 卷号: 14, 期号: 4, 页码: 354—+
Authors:  Lin, LL;  Yao, SY;  Gao, R;  Liang, X;  Yu, QL;  Deng, YC;  Liu, JJ;  Peng, M;  Jiang, Z;  Li, SW;  Li, YW;  Wen, XD;  Zhou, W;  Ma, D
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TOTAL-ENERGY CALCULATIONS  CARBON-MONOXIDE  SELECTIVE HYDROGENATION  NITRO-COMPOUNDS  GOLD  SINGLE  OXIDATION  PLATINUM  ATOM  NITROAROMATICS  
Carbon-Supported Divacancy-Anchored Platinum Single-Atom Electrocatalysts with Superhigh Pt Utilization for the Oxygen Reduction Reaction 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2019, 卷号: 58, 期号: 4, 页码: 1163—1167
Authors:  Liu, J;  Jiao, MG;  Mei, BB;  Tong, YX;  Li, YP;  Ruan, MB;  Song, P;  Sun, GQ;  Jiang, LH;  Wang, Y;  Jiang, Z;  Gu, L;  Zhou, Z;  Xu, WL
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TOTAL-ENERGY CALCULATIONS  ENHANCED ACTIVITY  PTNI ALLOY  CATALYSTS  GRAPHENE  NANOPARTICLES  DURABILITY  TRANSITION  ALGORITHM  NITROGEN  
Surface Segregation in CuNi Nanoparticle Catalysts During CO2 Hydrogenation: The Role of CO in the Reactant Mixture 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 13, 页码: 8421—8428
Authors:  Zegkinoglou, I;  Pielsticker, L;  Han, ZK;  Divins, NJ;  Kordus, D;  Chen, YT;  Escudero, C;  Perez-Dieste, V;  Zhu, BE;  Gao, Y;  Cuenya, BR
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RAY PHOTOELECTRON-SPECTROSCOPY  TOTAL-ENERGY CALCULATIONS  METHANOL SYNTHESIS  PARTICLE-SIZE  NICKEL  NI  METHANATION  GAS  DEPOSITION  OXIDE  
Oxygen-Vacancy Dynamics and Entanglement with Polaron Hopping at the Reduced CeO2(111) Surface 期刊论文
PHYSICAL REVIEW LETTERS, 2019, 卷号: 122, 期号: 9, 页码: —
Authors:  Zhang, DW;  Han, ZK;  Murgida, GE;  Ganduglia-Pirovano, MV;  Gao, Y
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TOTAL-ENERGY CALCULATIONS  MICROSCOPIC OBSERVATIONS  ELECTRON LOCALIZATION  CERIA  TRANSPORT  OXIDE  NANOPARTICLES  CATALYSIS  OXIDATION  BEHAVIOR  
Thickness-driven first-order phase transitions in manganite ultrathin films 期刊论文
PHYSICAL REVIEW B, 2019, 卷号: 99, 期号: 21, 页码: —
Authors:  Chen, HY;  Yu, Y;  Wang, Z;  Bai, Y;  Lin, HX;  Li, XL;  Liu, H;  Miao, T;  Kou, YF;  Zhang, YS;  Li, Y;  Tang, J;  Wang, ZC;  Cai, P;  Zhu, YY;  Cheng, ZH;  Zhong, XY;  Wang, WB;  Gao, XY;  Yin, LF;  Wu, RQ;  Shen, J
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TOTAL-ENERGY CALCULATIONS  GIANT MAGNETORESISTANCE  
Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array 期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 1, 页码: 768-778
Authors:  Nowakowska, S;  Mazzola, F;  Alberti, MN;  Song, F;  Voigt, T;  Nowakowski, J;  Wackerlin, A;  Wackerlin, C;  Wiss, J;  Schweizer, WB;  Broszio, M;  Polley, C;  Leandersson, M;  Fatayer, S;  Ivas, T;  Baljozovic, M;  Mousavi, SF;  Ahsan, A;  Nijs, T;  Popova, O;  Zhang, J;  Muntwiler, M;  Thilgen, C;  Stohr, M;  Pasti, IA;  Skorodumova, NV;  Diederich, F;  Wells, J;  Jung, TA
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Initio Molecular-dynamics  Total-energy Calculations  Augmented-wave Method  Surface-states  Temperature-dependence  Nanoporous Network  Electronic States  Chiral Networks  Hydrogen-bonds  Metal-surfaces  
Carboxylic Acid Group-Induced Oxygen Vacancy Migration on an Anatase (101) Surface 期刊论文
LANGMUIR, 2018, 卷号: 34, 期号: 1, 页码: 546-552
Authors:  Li, YD;  Gao, Y
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Sensitized Solar-cells  Total-energy Calculations  Augmented-wave Method  Tio2 Surface  Formic-acid  Basis-set  Efficiency  Density  Adsorption  Defects  
A general synthetic approach for hexagonal phase tungsten nitride composites and their application in the hydrogen evolution reaction 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 23, 页码: 10967-10975
Authors:  Jin, HY;  Zhang, H;  Chen, JY;  Mao, SJ;  Jiang, Z;  Wang, Y
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Total-energy Calculations  Augmented-wave Method  Oxygen Evolution  In-situ  High-performance  Highly Efficient  Basis-set  Water  Electrocatalysts  Nanosheets  
Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S 期刊论文
SCIENTIFIC REPORTS, 2018, 卷号: 8, 页码: -
Authors:  Cui, JL;  He, TT;  Han, ZK;  Liu, XL;  Du, ZL
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Total-energy Calculations  Wave Basis-set  Thermal-conductivity  Crystal-structure  Efficiency  Cu2sns3  Defects