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Stability and Elasticity of Quasi Hexagonal Fullerene Monolayer from First Principles Study 期刊论文
CRYSTALS, 2023, 卷号: 13, 期号: 2, 页码: 224
Authors:  Shen, Guichang;  Li, Linxian;  Tang, Shuai;  Jin, Jianfeng;  Chen, XiaoJia;  Peng Q(彭庆)
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qhp C 60  stability  first principles  mechanical properties  
基于机器学习的干酪根热演化与流动的量子力学机制研究 学位论文
硕士论文，北京: 中国科学院大学, 2022
Authors:  马骏
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干酪根热演化，不可压缩薛定谔流动，机器学习，量子力学，轨道杂化  
基于机器学习的干酪根分子重构及裂解化学-力学机制研究 学位论文
博士论文，北京: 中国科学院大学, 2022
Authors:  康 东亮
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力能学  组合爆炸  机器学习  干酪根分子重构  裂解化学-力学性质  
Defining kerogen maturity from orbital hybridization by machine learning 期刊论文
FUEL, 2022, 卷号: 310, 页码: 10
Authors:  Ma J(马俊);  Kang DL(康东亮);  Wang XH(王晓荷);  Zhao YP(赵亚溥)
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Kerogen maturity  Orbital hybridization  Machine learning  Quantum chemistry  
Mechanical response of kerogen at high strain rates 期刊论文
INTERNATIONAL JOURNAL OF IMPACT ENGINEERING, 2021, 卷号: 155, 页码: 8
Authors:  Wang XH(王晓荷);  Huang XF(黄先富);  Gao MN(高梦霓);  Zhao YP(赵亚溥)
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Kerogen aggregate in shale  Strain rate  Compressible hyper-viscoelasticity  Constitutive model  
Iron-modulated nickel cobalt phosphide embedded in carbon to boost power density of hybrid sodium-air battery 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 卷号: 285, 页码: 11
Authors:  Kang, Yao;  Wang, Shuo;  Zhu, Siqi;  Gao, Haixing;  Hui, Kwan San;  Yuan, ChengZong;  Yin, Hong;  Bin F(宾峰);  Wu, XiLin;  Mai, Wenjie;  Zhu, Ling;  Hu, Maocong;  Liang, Feng;  Chen, Fuming;  Hui, Kwun Nam
Adobe PDF(7410Kb)  |  Favorite  |  View/Download：419/143  |  Submit date：2021/04/07
Iron doping  Nickel cobalt phosphide  Electronic structure reformation  DFT calculation  Hybrid sodium-air battery  
High-Throughput Screening of Nitrogen-Coordinated Bimetal Catalysts for Multielectron Reduction of CO2 to CH4 with High Selectivity and Low Limiting Potential 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 13, 页码: 7155-7165
Authors:  Wang Shuo;  Li Lei;  Li Jing;  Yuan Chengzong;  Kang Yao;  Hui Kwan San;  Zhang Jintao;  Bin F(宾峰);  Fan Xi;  Chen Fuming;  Hui Kwun Nam
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Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase (vol 129, 055101, 2021) 期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 129, 期号: 11, 页码: 1
Authors:  Pan DX(潘斗兴)
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Electronic dispersions of a stable twisted bilayer phosphorene in 2O-t alpha P phase 期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 129, 期号: 5, 页码: 12
Authors:  Pan DX(潘斗兴)
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Temperature-dependent brittle-ductile transition of alpha-graphyne nanotubes under uniaxial tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 187, 页码: 7
Authors:  Zhang, Cun;  Yang, Bolin;  Wang C(王超);  Liu, Jinxi;  Feng, Wenjie;  Fang, Xueqian;  Chen, Shaohua
Adobe PDF(9380Kb)  |  Favorite  |  View/Download：324/63  |  Submit date：2021/03/03
alpha-Graphyne nanotube  Brittle-ductile transition  Mechanical property  Temperature  Atomic structure evolution