检索结果-南通市图书馆

The mechanism of hydrogen abstraction by high valence transition metal oxo compounds

Journal of Energy Chemistry 2016年第6期25卷 1045-1050页

作者： Gang Fu Ruming Yuan Huilin Wan Xin Xu Department of Chemistry State Key Laboratory for Physical Chemistry of Solid Surfaces College of Chemistry & Chemical Engineering Xiamen University Department of Chemistry MOE Laboratory for Computational Physical Science Shanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsFudan University

We present here a systematic theoretical study to explore the underlying mechanisms of the H abstraction reaction from methane. Various abstracting agents have been modeled, using Oxygen radicals and a set of high valence metal oxo compounds. Our calculations demonstrate that although H abstraction from CH3-H by metal oxoes can be satisfactorily fitted into the Polanyi correlation on the basis of Oxygen radicals, the mechanisms behind are significantly different. The frontier orbital analyses show that there are three electrons and three active orbitals (3e, 3o) involved in H abstraction by Oxygen radicals; whereas an additional orbital of pi(M-O)* is involved in H abstraction by M = O, resulting in a (4e, 4o) interaction. In terms of valence bond state correlation diagram, we find that H abstraction by a metal oxo may benefit from the contribution of ionic resonance structures, which could compensate the penalty of opening the M-O pbond. We believe that these findings can help to design more effective catalysts for the activation of light alkanes. (C) 2016 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B. V. and Science Press. All rights reserved.

关键词： C-H bond activation Polanyi relationship Oxygen radical Valence bond state correlation diagram DFT calculation

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Growth properties of gallium oxide on sapphire substrate by plasma-assisted pulsed laser deposition

引用

Journal of Semiconductors 2019年第12期40卷 121-125页

作者： Congyu Hu Katsuhiko Saito Tooru Tanaka Qixin Guo Department of Electrical and Electronic Engineering Synchrotron Light Application Center Saga University

Gallium oxide was deposited on a c-plane sapphire substrate by oxygen plasma-assisted pulsed laser deposition(PLD).An Oxygen radical was generated by an inductive coupled plasma source and the effect of radio frequency(RF)power on growth rate was investigated.A film grown with plasma assistance showed 2.7 times faster growth rate.X-ray diffraction and Raman spectroscopy analysis showedβ-Ga2 O3 films grown with plasma assistance at 500℃.The roughness of the films decreased when the RF power of plasma treatment increased.Transmittance of these films was at least 80%and showed sharp absorption edge at 250 nm which was consistent with data previously reported.

关键词： wide bandgap gallium oxide Oxygen radical pulsed laser deposition plasma

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：