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	Design of narrow-gap tio2: a passivated codoping approach for enhanced photoelectrochemical activity
	Gai, Yanqin1; Li, Jingbo1; Li, Shu-Shen1; Xia, Jian-Bai1; Wei, Su-Huai2
刊名	Physical review letters
	2009-01-23
卷号	102期号:3页码:4
ISSN号	0031-9007
DOI	10.1103/physrevlett.102.036402
通讯作者	Gai, yanqin()
英文摘要	To improve the photoelectrochemical activity of tio2 for hydrogen production through water splitting, the band edges of tio2 should be tailored to match with visible light absorption and the hydrogen or oxygen production levels. by analyzing the band structure of tio2 and the chemical potentials of the dopants, we propose that the band edges of tio2 can be modified by passivated codopants such as (mo+c) to shift the valence band edge up significantly, while leaving the conduction band edge almost unchanged, thus satisfying the stringent requirements. the design principle for the band-edge modification should be applicable to other wide-band-gap semiconductors.
WOS关键词	INITIO MOLECULAR-DYNAMICS ; AUGMENTED-WAVE METHOD ; TITANIUM-DIOXIDE ; WATER ; ANATASE ; PHOTOCATALYSIS ; OXIDATION ; METALS
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000262723700047
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2427719
专题	半导体研究所
通讯作者	Gai, Yanqin
作者单位	1.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China 2.Natl Renewable Energy Lab, Golden, CO 80401 USA
推荐引用方式 GB/T 7714	Gai, Yanqin,Li, Jingbo,Li, Shu-Shen,et al. Design of narrow-gap tio2: a passivated codoping approach for enhanced photoelectrochemical activity[J]. Physical review letters,2009,102(3):4.
APA	Gai, Yanqin,Li, Jingbo,Li, Shu-Shen,Xia, Jian-Bai,&Wei, Su-Huai.(2009).Design of narrow-gap tio2: a passivated codoping approach for enhanced photoelectrochemical activity.Physical review letters,102(3),4.
MLA	Gai, Yanqin,et al."Design of narrow-gap tio2: a passivated codoping approach for enhanced photoelectrochemical activity".Physical review letters 102.3(2009):4.

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