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Electronic structure adjustment of lithium sulfide by a single-atom copper catalyst toward high-rate lithium-sulfur batteries 期刊论文
ENERGY STORAGE MATERIALS, 2022, 卷号: 51, 页码: 890-899
Authors:  Xiao, Ru;  Yu, Tong;  Yang, Shan;  Chen, Ke;  Li, Zhuangnan;  Liu, Zhibo;  Hu, Tianzhao;  Hu, Guangjian;  Li, Jiong;  Cheng, Hui -Ming;  Sun, Zhenhua;  Li, Feng
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Lithium-sulfur battery  Single-atom catalysts  Lithium sulfide  Insulator-to-metal transition  Redox reaction kinetics  
Solid solution strengthening of high-entropy alloys from first-principles study 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 121, 页码: 105-116
Authors:  Zhang, H. L.;  Cai, D. D.;  Sun, X.;  Huang, H.;  Lu, S.;  Wang, Y. Z.;  Hu, Q. M.;  Vitos, L.;  Ding, X. D.
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Alloys  Solid solution strengthening  Hardness  Size misfit parameter  Shear modulus misfit parameter  First-principles calculations  
First-principles study of the structural, electronic, dynamical, and mechanical properties of Pd-Nb binary systems 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2022, 卷号: 78, 页码: 12
Authors:  Liu, Mingfeng;  Wang, Lei;  Wang, Jiantao;  Zhu, Heyu;  Ma, Hui;  Wei, Yan;  Zhang, Aimin;  Chen, Li;  Liu, Peitao;  Chen, Xing-Qiu
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First-principles calculations  Variable-composition evolutionary structure search  Pd-Nb binary system  Intermetallics  Electronic structures  Elastic properties  
Screening for shape memory alloys with narrow thermal hysteresis using combined XGBoost and DFT calculation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 211, 页码: 7
Authors:  Tian, Xiaohua;  Zhou, Liwen;  Zhang, Kun;  Zhao, Qiu;  Li, Hongxing;  Shi, Dingding;  Ma, Tianyou;  Wang, Cheng;  Wen, Qinlong;  Tan, Changlong
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Thermal hysteresis  NiTi shape memory alloys  Machine learning  XGBoost  First-principles calculations  
One-Step Growth of Bilayer 2H-1T?MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration 期刊论文
ACS NANO, 2022, 卷号: 16, 期号: 7, 页码: 11268-11277
Authors:  Guo, Zenglong;  Wang, Lei;  Han, Mengjiao;  Zhao, Erding;  Zhu, Liang;  Guo, Weiteng;  Tan, Junyang;  Liu, Bilu;  Chen, Xing-Qiu;  Lin, Junhao
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MoTe2  salt-assisted CVD growth  van der Waals heterostructure  polarized Raman spectroscopy  first-principles calculation  
In situ neutron diffraction unravels deformation mechanisms of a strong and ductile FeCrNi medium entropy alloy 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 116, 页码: 103-120
Authors:  Tang, L.;  Jiang, F. Q.;  Wrobel, J. S.;  Liu, B.;  Kabra, S.;  Duan, R. X.;  Luan, J. H.;  Jiao, Z. B.;  Attallah, M. M.;  Nguyen-Manh, D.;  Cai, B.
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Medium entropy alloy  Multi-component alloy  Cryogenic temperature  Neutron diffraction  
One-Step Growth of Bilayer 2H-1T' MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration 期刊论文
ACS NANO, 2022, 页码: 10
Authors:  Guo, Zenglong;  Wang, Lei;  Han, Mengjiao;  Zhao, Erding;  Zhu, Liang;  Guo, Weiteng;  Tan, Junyang;  Liu, Bilu;  Chen, Xing-Qiu;  Lin, Junhao
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MoTe2  salt-assisted CV D growth  van der Waals heterostructure  polarized Raman spectroscopy  first-principles calculation  
Microstructure and electrical properties of La2Ti2O7 thin films on SrTiO3 substrates 期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 587, 页码: 8
Authors:  Qiao, Beibei;  Jiang, Yixiao;  Yao, Tingting;  Tao, Ang;  Yan, Xuexi;  Gao, Chunyang;  Li, Xiang;  Ohta, Hiromichi;  Chen, Chunlin;  Ma, Xiu-Liang;  Ye, Hengqiang
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La2Ti2O7  Transmission electron microscopy  Layered perovskite material  First-principles calculations  
Strong bulk-surface interaction dominated in-plane anisotropy of electronic structure in GaTe 期刊论文
COMMUNICATIONS PHYSICS, 2022, 卷号: 5, 期号: 1, 页码: 7
Authors:  Lai, Kang;  Ju, Sailong;  Zhu, Hongen;  Wang, Hanwen;  Wu, Hongjian;  Yang, Bingjie;  Zhang, Enrui;  Yang, Ming;  Li, Fangsen;  Cui, Shengtao;  Deng, Xiaohui;  Han, Zheng;  Zhu, Mengjian;  Dai, Jiayu
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Simultaneous improvement of magnetic-field-induced working temperature and mechanical properties in Ni-Mn-In shape memory alloy 期刊论文
AIP ADVANCES, 2022, 卷号: 12, 期号: 6, 页码: 8
Authors:  Ma, Tianyou;  Zhang, Kun;  Han, Binglun;  Zhao, Lei;  Zhao, Wenbin;  Wang, Cheng;  Liu, Rui;  Tian, Xiaohua;  Tan, Changlong
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