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Electronic signal for mechanical failure in two-dimensional g-SiC 期刊论文
SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2024, 卷号: 39, 期号: 6, 页码: 5
Authors:  Li, Jing;  Shi, Tan;  Lu, Chenyang;  Peng Q(彭庆)
Favorite  |  View/Download：31/0  |  Submit date：2024/05/27
instability  mechanical properties  electronic properties  two-dimensional SiC  first-principles calculations  mechanical failure  
Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory for Hyperthermal Collisions in the O2+O2 System 期刊论文
CHEMPHYSCHEM, 2024, 页码: 15
Authors:  Jiang, Jie;  Yang, Jiawei;  Hong QZ(洪启臻);  Sun QH(孙泉华);  Li, Jun
Favorite  |  View/Download：26/0  |  Submit date：2024/05/27
Quantum-classical rate coefficient datasets of vibrational energy transfer in carbon monoxide based on highly accurate potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 160, 期号: 8, 页码: 15
Authors:  Hong QZ(洪启臻);  Storchi, Loriano;  Coletti, Cecilia;  Li, Jia;  Sun QH(孙泉华);  Li, Jun
Favorite  |  View/Download：19/0  |  Submit date：2024/05/14
Function of cleavage strength for symmetrical tilt grain boundaries 期刊论文
ENGINEERING FRACTURE MECHANICS, 2024, 卷号: 295, 页码: 14
Authors:  Hu SW(胡世威);  Liang, Hao;  Yin, Yihui;  Liang, Yanxiang;  Zhang, Yuanzhang;  Yan, Yabin;  Li, Xiang
Favorite  |  View/Download：86/0  |  Submit date：2024/02/05
Cleavage strength  Grain boundaries  Theoretical model  Ab initio tensile simulation  Critical energy release rate  
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
Authors:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
Favorite  |  View/Download：79/0  |  Submit date：2024/02/05
Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation  
Collision integrals of electronically excited atoms in air plasmas. I. N-N and O-O interactions 期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2023, 卷号: 32, 期号: 12, 页码: 28
Authors:  Zhao WS(赵文胜);  Hong QZ(洪启臻);  Yang, Chao;  Sun QH(孙泉华);  Hu Y(胡远)
Adobe PDF(1803Kb)  |  Favorite  |  View/Download：80/13  |  Submit date：2024/01/02
collision integrals  potential energy curves  air plasmas  N-N and O-O interactions  electronic excitation  
Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
Authors:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando;  Coletti, Cecilia
Adobe PDF(5231Kb)  |  Favorite  |  View/Download：66/11  |  Submit date：2024/01/22
Mechanisms of the improved stiffness of flexible polymers under impact loading 期刊论文
NANOTECHNOLOGY REVIEWS, 2022, 卷号: 11, 期号: 1, 页码: 3281-3291
Authors:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平);  Wu XL(武晓雷)
Adobe PDF(3400Kb)  |  Favorite  |  View/Download：178/31  |  Submit date：2023/02/03
soft segment  flexible polymer  stiffness  strain rate  molecular dynamics  
Vibrational deactivation in O(P-3) + N-2 collisions: from an old problem towards its solution 期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2022, 卷号: 31, 期号: 8, 页码: 16
Authors:  Hong QZ(洪启臻);  Bartolomei, Massimiliano;  Pirani, Fernando;  Esposito, Fabrizio;  Sun QH(孙泉华);  Coletti, Cecilia
Adobe PDF(2972Kb)  |  Favorite  |  View/Download：355/57  |  Submit date：2022/09/16
vibrational relaxation  non-adiabatic transitions  N-2 + O collisions  V-T rate coefficients  V-E rate coefficients  
Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction 期刊论文
NANO RESEARCH, 2022, 卷号: 15, 期号: 4, 页码: 2952-2960
Authors:  Kang Y;  Wang S;  Hui KS;  Wu SX;  Dinh DA;  Fan X;  Bin F(宾峰);  Chen FM;  Geng JX;  Cheong WCM;  Hui KN
Adobe PDF(4544Kb)  |  Favorite  |  View/Download：289/48  |  Submit date：2022/01/12
F anions  dynamic migration  nickel hydroxides  surface reconstruction  oxygen evolution reaction (OER)