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Topological defect and sp3/sp2 carbon interface derived from ZIF-8 with linker vacancies for oxygen reduction reaction 期刊论文
CARBON, 2023, 卷号: 203, 页码: 76-87
作者:  Gao, Haixing;  Wang, Shuo;  Cheong, Weng-Chon (Max);  Wang, Kaixi;  Xu, Huifang;  Huang, Aijian;  Ma, Junguo;  Li, Jiazhan;  Ip, Weng-Fai (Andy);  San Hui, Kwan;  Dinh, Duc Anh;  Fan, Xi;  Bin F(宾峰);  Chen, Fuming;  Hui, Kwun Nam
Adobe PDF(2761Kb)  |  收藏  |  浏览/下载：88/2  |  提交时间：2023/01/12
Metal-free  Carbon-based materials  Metal-organic framework  Defect chemistry  Metal-air battery  
Methane Adsorption Characteristics Under In Situ Reservoir Conditions of the Wufeng Longmaxi Shale in Southern Sichuan Basin, China: Implications for Gas Content Evaluation 期刊论文
NATURAL RESOURCES RESEARCH, 2023
作者:  Qian, Chao;  Li, Xizhe;  Zhang, Qing;  Li, Yanchao;  Shen WJ(沈伟军);  Xing, Hongchuan;  Shu, Pinghua;  Han, Lingling;  Cui, Yue;  Huang, Yize
Adobe PDF(3980Kb)  |  收藏  |  浏览/下载：79/1  |  提交时间：2023/04/20
Wufeng Longmaxi shale  In situ reservoir condition  Thermodynamic parameters  Water saturation  Adsorption capacity  
Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10
作者:  Luo,Yongcheng;  Xiao,Hanmin;  Liu,Xiangui;  Zheng TY(郑太毅)
Adobe PDF(11320Kb)  |  收藏  |  浏览/下载：162/46  |  提交时间：2022/11/21
Adsorption  Potential energy  Self -diffusion coefficient  Molecular dynamics  
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
作者:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平);  Wu XL(武晓雷)
Adobe PDF(3400Kb)  |  收藏  |  浏览/下载：143/29  |  提交时间：2023/02/03
soft segment  flexible polymer  stiffness  strain rate  molecular dynamics  
Predicting the Molecular Models, Types, and Maturity of Kerogen in Shale Using Machine Learning and Multi-NMR Spectra 期刊论文
ENERGY & FUELS, 2022, 页码: 13
作者:  Kang DL(康东亮);  Zhao YP(赵亚溥)
Adobe PDF(3734Kb)  |  收藏  |  浏览/下载：208/58  |  提交时间：2022/08/10
Defining kerogen maturity from orbital hybridization by machine learning 期刊论文
FUEL, 2022, 卷号: 310, 页码: 10
作者:  Ma J(马俊);  Kang DL(康东亮);  Wang XH(王晓荷);  Zhao YP(赵亚溥)
Adobe PDF(4071Kb)  |  收藏  |  浏览/下载：281/59  |  提交时间：2021/11/29
Kerogen maturity  Orbital hybridization  Machine learning  Quantum chemistry  
Physical mechanics investigation into carbon utilization and storage with enhancing shale oil and gas recovery 期刊论文
SCIENCE CHINA-TECHNOLOGICAL SCIENCES, 2022, 卷号: 65, 期号: 2, 页码: 490-492
作者:  Zhao YP(赵亚溥)
Adobe PDF(572Kb)  |  收藏  |  浏览/下载：189/39  |  提交时间：2022/01/24
Modelling aggregates of cetyltrimethylammonium bromide on gold surfaces using dissipative particle dynamics simulations 期刊论文
MOLECULAR SIMULATION, 2022, 卷号: 48, 期号: 10, 页码: 872-881
作者:  Liu, Yawei;  Wei JC(韦佳辰);  Frenkel, Daan;  Widmer-Cooper, Asaph
Adobe PDF(2109Kb)  |  收藏  |  浏览/下载：234/51  |  提交时间：2021/08/16
Gold nanorod  cetyltrimethylammonium bromide  dissipative particle dynamics  ligand  bilayer  
Molecular Dynamics Simulation of the Soret Effect on Two Binary Liquid Solutions with Equimolar n-Alkane Mixtures 期刊论文
ACS OMEGA, 2022, 期号: 7, 页码: 518-527
作者:  Zhong J(钟军);  Zhao RB(赵仁保);  欧阳文泽;  Xu SH(徐升华)
Adobe PDF(2173Kb)  |  收藏  |  浏览/下载：183/27  |  提交时间：2022/02/17
Intrinsic sodium occurrence in Zhundong coal: Experimental observations and molecular modeling 期刊论文
FUEL, 2021, 卷号: 305, 页码: 12
作者:  Sun C(孙岑);  Wei XL(魏小林);  Kang RN(康润宁);  Bin F(宾峰);  Li S(李森)
Adobe PDF(9737Kb)  |  收藏  |  浏览/下载：296/52  |  提交时间：2021/11/01
Alkali metal occurrence model  Zhundong coal  Molecular model  DFT  NMR