Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet

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	Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet
	Kaewmaraya, Thanayut ; De Sarkar, Abir ; Sa, Baisheng ; Sun, Z. ; Ahuja, Rajeev ; Sa BS(萨百晟)
刊名	http://dx.doi.org/10.1016/j.commatsci.2014.04.038
	2014
关键词	AUGMENTED-WAVE METHOD THIN-FILMS SENSOR GAS
英文摘要	FORMAS (Sweden); SWECO (Sweden); Wenner-Gren Stiftelserna; Strain-induced tunability of several properties of ZnO monolayer nanosheet has been systematically studied using density functional theory. The band gap of the sheet varies almost linearly with uniaxial strain, while it shows a parabola-like behavior under homogeneous biaxial strain. Tensile strain reduces ionicity of Zn-O bonds, while compressive strain increases it. This provides ample implications for the photocatalytic dissociation of water molecules and the scission of polar molecules on ZnO nanosheet. The dynamical stability of the sheet assessed by the calculation of its vibrational frequencies has shown the sheet to be unstable for 10% and 7.5% compressive biaxial homogeneous strain. (C) 2014 Elsevier B.V. All rights reserved.
语种	英语
出版者	ELSEVIER SCIENCE BV
内容类型	期刊论文
源URL	[http://dspace.xmu.edu.cn/handle/2288/87327]
专题	材料学院－已发表论文
推荐引用方式 GB/T 7714	Kaewmaraya, Thanayut,De Sarkar, Abir,Sa, Baisheng,et al. Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet[J]. http://dx.doi.org/10.1016/j.commatsci.2014.04.038,2014.
APA	Kaewmaraya, Thanayut,De Sarkar, Abir,Sa, Baisheng,Sun, Z.,Ahuja, Rajeev,&萨百晟.(2014).Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet.http://dx.doi.org/10.1016/j.commatsci.2014.04.038.
MLA	Kaewmaraya, Thanayut,et al."Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet".http://dx.doi.org/10.1016/j.commatsci.2014.04.038 (2014).