24小时热门版块排行榜

>论坛更新日志 (2623)
>文献求助 (120)
>导师招生 (105)
>休闲灌水 (71)
>硕博家园 (55)
>虫友互识 (51)
>论文道贺祈福 (38)
>考研 (36)
>论文投稿 (33)
>公派出国 (30)
>考博 (28)
>博后之家 (23)
>教师之家 (22)
>基金申请 (19)
>外文书籍求助 (18)
>找工作 (14)

返回列表

【奖励】本帖被评价30次，作者daiqiguang增加金币 24.5 个

当前主题已经存档。

当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖

daiqiguang

荣誉版主 (知名作家)

[资源] 【文献推荐】稀土、过渡金属氧化物氧空穴_链接更新（2007-10-4）

好久没有在催化版发帖了，好久没有收到金币奖励了，今天课题需要查了些文献，发现这篇文献可能还值得一读，故推荐给大家，随便赚几个金币花花！
本人还没仔细看，所以暂时不能和大家分享看法！

Surface Science Reports 62 (2007) 219–270

Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges

M. Ver´onica Ganduglia-Pirovano, Alexander Hofmann, Joachim Sauer Humboldt-Universit¨at zu Berlin, Institut f¨ur Chemie, Unter den Linden 6, D-10099 Berlin, Germany Accepted 26 March 2007

Abstract
Defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen vacancies in particular, play a major role in a variety of technological applications. This is the motivation of numerous studies of partially reduced oxide surfaces. We review, discuss, and compare theoretical data for structural and electronic properties and energetic quantities related to the formation of oxygen defects at TM and RE oxide surfaces using TiO2, ZrO2, V2O5, and CeO2 as examples. Bulk defects, as far as relevant for comparison with the properties of reduced surfaces, are briefly reviewed. Special attention is given to the fate of the electrons left in the system upon vacancy formation and the ability of state-of-theart quantum-mechanical methods to provide reliable energies and an accurate description of the electronic structure of the partially reduced oxide systems.

c 2007 Elsevier B.V. All rights reserved.

引用回帖:

Contents
1.Introduction.................................................................................220
2. Models and methods ................................. 221
3. Titanium oxide.................................................................... 222
3.1. TiO2 applications and basic information ................ 222
3.2. Experimental findings on oxygen vacancies ............. 222
3.3. Reduced TiO2 rutile (110) surface.................... 224
3.3.1. Structure relaxation and electronic structure........... 224
3.3.2. The rutile TiO2(110) surface defect formation energy ................................................................. 229
3.4. Reduced TiO2 anatase surfaces............................................... 233
3.5. Reduced rutile and anatase TiO2 bulk ................ 235
3.6. Summary TiO2 ........................................ 237
4. Zirconium oxide .................................................. 237
4.1. ZrO2 applications and basic information.......... 237
4.2. Experimental findings on oxygen vacancies ......... 238
4.3. Reduced ZrO2 bulk phases....................................... 238
4.3.1. Structure relaxation and electronic structure........................... 239
4.3.2. The ZrO2 bulk defect formation energy................................................ 242
4.4. Reduced t-ZrO2 surfaces ........................... 243
4.5. Summary ZrO2 ....................................... 243
5. Vanadium oxide ............................................

http://catachina.gbaopan.com/files/4591f143c1574aaab292a64c312c89f0.gbp

鸿波网下载链接：
http://media.imhb.cn/myspace/download.aspx?MSAutoID=65888&huid=450106

[ Last edited by daiqiguang on 2007-10-4 at 21:39 ]

回复此楼