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 ............................................

Originally posted by getiao at 2007-10-11 10:15 PM:
大家交流一下看后的感想啊！
      我大概看了一下稀土氧化物部分的，感觉理论性太强了，里面涉及到的很多理论甚至连概念都不知道，这当然跟我以前不是学化学的背景有关。总之，开始感觉很好，但是看了一下没怎么 ...