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Thermoelectric performance of a metastable thin-film Heusler alloy 期刊论文
NATURE, 2019, 卷号: 576, 期号: 7785, 页码: 85-+
Authors:  Hinterleitner, B.;  Knapp, I.;  Poneder, M.;  Shi, Yongpeng;  Mueller, H.;  Eguchi, G.;  Eisenmenger-Sittner, C.;  Stoeger-Pollach, M.;  Kakefuda, Y.;  Kawamoto, N.;  Guo, Q.;  Baba, T.;  Mori, T.;  Ullah, Sami;  Chen, Xing-Qiu;  Bauer, E.
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Frustrated Lewis pairs photocatalyst for visible light-driven reduction of CO to multi-carbon chemicals 期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 43, 页码: 20777-20784
Authors:  Chen, Zhe;  Zhao, Jia;  Zhao, Jingxiang;  Chen, Zhongfang;  Yin, Lichang
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Strong metal-metal interaction and bonding nature in metal/oxide interfaces with large mismatches 期刊论文
ACTA MATERIALIA, 2019, 卷号: 179, 页码: 237-246
Authors:  Li, Hongping;  Saito, Mitsuhiro;  Chen, Chunlin;  Inoue, Kazutoshi;  Akagi, Kazuto;  Ikuhara, Yuichi
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Metal/oxide incoherent interface  Scanning transmission electron microscopy  First-principles calculations  Atomic-scale structure  Bonding nature  
Control of the metal-to-insulator transition by substrate orientation in nickelates 期刊论文
AIP ADVANCES, 2019, 卷号: 9, 期号: 10
Authors:  Peng, J. J.;  Ouyang, B.;  Liu, H. Y.;  Hao, C. S.;  Tang, S. S.;  Gu, Y. D.;  Yan, Y.
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First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
Authors:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
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First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property  
Monometallic nanoporous nickel with high catalytic performance towards hydrazine electro-conversion and its DFT calculations 期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 317, 页码: 449-458
Authors:  Luo, Bing;  Wu, Tongwei;  Zhang, Lili;  Diao, Fangyuan;  Zhang, Yanning;  Ci, Lijie;  Ulstrup, Jens;  Zhang, Jingdong;  Si, Pengchao
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Nanoporous nickel  Magnetron sputtering  Dealloying  Hydrazine conversion  Density functional theory (DFT)  
Competitive adsorption on single-atom catalysts: Mechanistic insights into the aerobic oxidation of alcohols over Co-N-C 期刊论文
JOURNAL OF CATALYSIS, 2019, 卷号: 377, 页码: 283-292
Authors:  Huang, Kuntao;  Fu, Hongquan;  Shi, Wen;  Wang, Hongjuan;  Cao, Yonghai;  Yang, Guangxing;  Peng, Feng;  Wang, Qiang;  Liu, Zhigang;  Zhang, Bingsen;  Yu, Hao
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Co-N-C  Single-atom catalyst  Benzyl alcohol oxidation  Kinetics  DFT calculation  
Secondary-Atom-Assisted Synthesis of Single Iron Atoms Anchored on N-Doped Carbon Nanowires for Oxygen Reduction Reaction 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 期号: 7, 页码: 5929-5934
Authors:  Li, Jin-Cheng;  Xiao, Fei;  Zhong, Hong;  Li, Tao;  Xu, Mingjie;  Ma, Lu;  Cheng, Min;  Liu, Dong;  Feng, Shuo;  Shi, Qiurong;  Cheng, Hui-Ming;  Liu, Chang;  Du, Dan;  Beckman, Scott P.;  Pan, Xiaoqing;  Lin, Yuehe;  Shao, Minhua
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single-atom catalysts  Fe-N  carbon nanowire  density functional theory  oxygen reduction  
Energy storage properties of a two-dimensional TiB4 monolayer 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 24, 页码: 13151-13156
Authors:  Liu, Zhiyang;  Wu, Erdong;  Li, Jiangxu;  Liu, Shi
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Hydrogen storage properties of Li-decorated B2S monolayers: A DFT study 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 31, 页码: 16803-16810
Authors:  Liu, Zhiyang;  Liu, Shi;  Er, Suleyman
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DFT  2D materials  B2S  Li  Molecular hydrogen storage