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	Towards First-Principles Based Semi-Empirical Methods for Band Gaps of Complex Oxides; Towards First-Principles Based Semi-Empirical Methods for Band Gaps of Complex Oxides
	Feng Wu ; Hong Jiang
	2013
关键词	GW approximation extended Hückel theory ionic model band gap oxides GW approximation extended Hückel theory ionic model band gap oxides
英文摘要	Oxides with a d0 electron configuration, with TiO2 as the most notable example, have attracted a lot of interest as working materials for photo-catalytic splitting of water. The band gap is one of the most critical parameters that determine the photo-catalytic activity of the material. However, the ...; Oxides with a d0 electron configuration, with TiO2 as the most notable example, have attracted a lot of interest as working materials for photo-catalytic splitting of water. The band gap is one of the most critical parameters that determine the photo-catalytic activity of the material. However, the ...; 中国科学院计算机网络信息中心超级计算中心; 1
语种	英语
内容类型	其他
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/451125]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Feng Wu,Hong Jiang. Towards First-Principles Based Semi-Empirical Methods for Band Gaps of Complex Oxides, Towards First-Principles Based Semi-Empirical Methods for Band Gaps of Complex Oxides. 2013-01-01.

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