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5. Energy level of the defect state in anatase TiO2

Energy level of the defect state in anatase TiO2

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：wxf19860413

【摘 要】

：

　　The energy level of the defect state in anatase TiO2 has been widely investigated using density functional theory with different functionals.Most of these s

【作 者】

：

郝亚南;陈廷威;马玉臣; 

【机 构】

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山东大学化学与化工学院,济南市山大南路27 号,250100

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　The energy level of the defect state in anatase TiO2 has been widely investigated using density functional theory with different functionals.Most of these studies reported that the defect state(caused by oxygen vacancy,or other defect)is 0.7~1.0 eV below the conduction band minimum(CBM).

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