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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 学科主题：物理化学与绿色催化     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 The effect of oxygen containing functional groups on the H-2 adsorption of graphene based nanomaterials: experiment and theory 期刊论文 International Journal of Hydrogen Energy, 2018, 卷号: 43, 期号: 11, 页码: 5668-5679 作者:  Luo, Dan;  Zhang XQ(张旭强);  Zhang XQ(张旭强) 收藏  |  浏览/下载：14/0  |  提交时间：2018/06/01 Graphene Oxide  Oxygen-containing Functional Groups  Structural Characterization  Hydrogen Storage  Density Functional Theory   DFT studies of the substituent effects of dimethylamino on non-heme active oxidizing species: iron(V)-oxo species or iron(IV)-oxo acetate aminopyridine cation radical species? 期刊论文 Journal of Biological Inorganic Chemistry, 2017, 卷号: 22, 期号: 7, 页码: 987-998 作者:  Wang F(王芳);  Sun W(孙伟);  Xia CG(夏春谷);  Wang Y(王永);  Wang Y(王永) 收藏  |  浏览/下载：24/0  |  提交时间：2017/11/24 Non-heme Iron  Epoxidation  Density Functional Theory  Substituent Effect  Cation Radical Species   Enhancing activity for carbon dioxide methanation by encapsulating (111) facet Ni particle in metal-organic frameworks at low temperature 期刊论文 Journal of Catalysis, 2017, 卷号: 348, 页码: 200-211 作者:  Zhen WL(甄文龙);  Gao, Feng;  Tian B(田彬);  Ding, Ping;  Deng, Yibing 收藏  |  浏览/下载：31/0  |  提交时间：2017/08/28 CO2 methanation  Ni(111) facet  High activity  Density-functional theory  Low activation energy   Fabrication of Low Adsorption Energy Ni-Mo Cluster Cocatalyst in Metal-Organic Frameworks for Visible Photocatalytic Hydrogen Evolution 期刊论文 ACS Applied Materials and Interfaces, 2016, 卷号: 8, 期号: 17, 页码: 10808-10819 作者:  Zhen WL(甄文龙);  Gao, Haibo;  Tian B(田彬);  Ma JT(马建泰);  Lu GX(吕功煊) 收藏  |  浏览/下载：34/0  |  提交时间：2016/08/19 NiMo@MIL-101  density functional theory  low adsorption energy  visible photocatalytic hydrogen generation  apparent quantum efficiency   What factors influence the reactivity of C-H hydroxylation and C=C epoxidation by [Fe-IV(L-ax)(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane)(O)](n+) 期刊论文 Journal of Biological Inorganic Chemistry, 2015, 卷号: 20, 期号: 7, 页码: 1123-1134 作者:  Wang Yi;  Liu Yuan;  Yang Kun;  He Zhengwen;  Tian Jing 收藏  |  浏览/下载：12/0  |  提交时间：2015/11/23 Non-heme  Steric hindrance  Hydroxylation  Epoxidation  Density functional theory   Theoretical Study of Catalytic Reaction Mechanism of CO with N2O by Cu+ 期刊论文 Asian journal of chemistry, 2013, 卷号: 25, 期号: 17, 页码: 9460-9464 作者:  Chen, Dong-Ping;  Gai, Ke;  Kong C(孔超);  Han, Yan-Xia;  Hou, Li-Jie 收藏  |  浏览/下载：9/0  |  提交时间：2015/10/29 Cu+  Reaction mechanism  Density functional theory  Spin-orbit coupling