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浏览/检索结果: 共5条，第1-5条 帮助 限定条件 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：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Cl-induced passivity breakdown in alpha-Fe2O3 (0001), alpha-Cr2O3 (0001), and their interface: A DFT study 期刊论文 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 129, 页码: 70-78 作者:  Yin, Xiaoran;  Wang, Haitao;  Han, En-Hou 收藏  |  浏览/下载：87/0  |  提交时间：2022/07/14 Hematite  Chromia  DFT plus U  Interface  Cl-induced depassivation   Adsorption and dissociation of water on halogen pre-adsorbed Ni(111) and Ni-Cr(111) surfaces: A DFT study 期刊论文 SOLID STATE COMMUNICATIONS, 2020, 卷号: 321, 页码: 5 作者:  Yin, Xiaoran;  Sun, Xianfeng;  Wang, Haitao;  Han, En-Hou 收藏  |  浏览/下载：40/0  |  提交时间：2021/02/02 Nickel-based alloy  Halogen  Surface properties  DFT   Adsorption and dissociation of water on halogen pre-adsorbed Ni(111) and Ni-Cr(111) surfaces: A DFT study 期刊论文 SOLID STATE COMMUNICATIONS, 2020, 卷号: 321, 页码: 5 作者:  Yin, Xiaoran;  Sun, Xianfeng;  Wang, Haitao;  Han, En-Hou 收藏  |  浏览/下载：45/0  |  提交时间：2021/02/02 Nickel-based alloy  Halogen  Surface properties  DFT   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   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