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浏览/检索结果: 共10条，第1-10条 帮助 限定条件 发表日期：2020    专题：金属研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Influence of lattice distortion on stacking fault energies of CoCrFeNi and Al-CoCrFeNi high entropy alloys 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 10 作者:  Qiu, Shi;  Zhang, Xue-Chun;  Zhou, Jian;  Cao, Shuo;  Yu, Hui 收藏  |  浏览/下载：127/0  |  提交时间：2021/02/02 High entropy alloys  Stacking fault energy  Lattice distortion  Density functional theory   Resolving the Mechanism Complexity of Oxidative Dehydrogenation of Hydrocarbons on Nanocarbon by Microkinetic Modeling 期刊论文 ACS CATALYSIS, 2020, 卷号: 10, 期号: 23, 页码: 14006-14014 作者:  Lian, Zan;  Si, Chaowei;  Jan, Faheem;  Yang, Min;  Li, Bo 收藏  |  浏览/下载：90/0  |  提交时间：2021/03/15 oxidative dehydrogenation  carbon catalysis  microkinetic modeling  radical reaction  reaction mechanism  density functional theory   Comparative study on the adsorption behaviors of O and Cl on Fe(110) surfaces with different Cr content 期刊论文 MATERIALS TODAY COMMUNICATIONS, 2020, 卷号: 24, 页码: 8 作者:  Yin, Xiaoran;  Wang, Haitao;  Sun, Sheng;  Han, En-Hou 收藏  |  浏览/下载：11/0  |  提交时间：2021/02/02 Oxygen adsorption  Cl-induced corrosion  Cr doping  Implicit solvation model  Joint density functional theory   The catalytic performance of metal-free defected carbon catalyst towards acetylene hydrochlorination revealed from first-principles calculation 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020, 页码: 8 作者:  Ali, Sajjad;  Khan, Muhammad Baber Azam;  Khan, Said Alam;  Noora 收藏  |  浏览/下载：22/0  |  提交时间：2021/02/02 acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst   Quantitative Analysis Method for Nitrogen Electron Energy -Loss Near -Edge Structures in Nanocarbons Based on Density Functional Theory Calculations and Linear Regression 期刊论文 ULTRAMICROSCOPY, 2020, 卷号: 215, 页码: 5 作者:  Chen, Junnan;  Quan, Xueping;  Lu, Ming;  Niu, Yiming;  Zhang, Bingsen 收藏  |  浏览/下载：26/0  |  提交时间：2021/02/02 EELS  ELNES  Density Functional Theory  Linear Regression   Revealing the origin of the reactivity of metal-free boron nitride catalysts in oxidative dehydrogenation of propane 期刊论文 APPLIED SURFACE SCIENCE, 2020, 卷号: 519, 页码: 8 作者:  Si, Chaowei;  Lian, Zan;  Olanrele, Samson O.;  Sun, XiaoYing;  Li, Bo 收藏  |  浏览/下载：36/0  |  提交时间：2021/02/02 Boron nitride  Oxidative dehydrogenation  Metal-free catalyst  Reaction mechanism  Density functional theory   Revealing the origin of the reactivity of metal-free boron nitride catalysts in oxidative dehydrogenation of propane 期刊论文 APPLIED SURFACE SCIENCE, 2020, 卷号: 519, 页码: 8 作者:  Si, Chaowei;  Lian, Zan;  Olanrele, Samson O.;  Sun, XiaoYing;  Li, Bo 收藏  |  浏览/下载：17/0  |  提交时间：2021/02/02 Boron nitride  Oxidative dehydrogenation  Metal-free catalyst  Reaction mechanism  Density functional theory   Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries 期刊论文 NANO LETTERS, 2020, 卷号: 20, 期号: 2, 页码: 1252-1261 作者:  Zhou, Guangmin;  Wang, Shiyong;  Wang, Tianshuai;  Yang, Shi-Ze;  Johannessen, Bernt 收藏  |  浏览/下载：30/0  |  提交时间：2021/02/02 Single-atom catalysts  lithium-sulfur batteries  catalytic conversion  graphene  density functional theory simulation   Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries 期刊论文 NANO LETTERS, 2020, 卷号: 20, 期号: 2, 页码: 1252-1261 作者:  Zhou, Guangmin;  Wang, Shiyong;  Wang, Tianshuai;  Yang, Shi-Ze;  Johannessen, Bernt 收藏  |  浏览/下载：32/0  |  提交时间：2021/02/02 Single-atom catalysts  lithium-sulfur batteries  catalytic conversion  graphene  density functional theory simulation   Effects of solvation and applied potential on the adsorption behaviors of H, O, OH and H2O on Fe(110) surface 期刊论文 SURFACE SCIENCE, 2020, 卷号: 691, 页码: 8 作者:  Yin, Xiaoran;  Wang, Haitao;  Han, En-Hou 收藏  |  浏览/下载：13/0  |  提交时间：2021/02/02 Electrode/electrolyte interface  Adsorption  Constant-potential calculation  Joint density functional theory