Hydrothermal synthesis of ZnSe:Cu quantum dots and their luminescent mechanism study by first-principles

	Hydrothermal synthesis of ZnSe:Cu quantum dots and their luminescent mechanism study by first-principles
	Liang QS ; Bai YJ ; Han L ; Deng XL ; Wu XJ ; Wang ZC ; Liu XJ ; Meng J
刊名	journal of luminescence
	2013
卷号	143 页码:185-192
关键词	DOPED ZNSE SEMICONDUCTOR NANOCRYSTALS COLOR MANGANESE EMITTERS STATE TRANSITION EMISSIONS EFFICIENT ROUTE
ISSN号	0022-2313
通讯作者	liu xj
中文摘要	an one-pot synthesis of aqueous znse:cu nanocrystals (ncs) is realized in aqueous solution by a facile yet efficient hydrothermal technique. the dopant emission spectrum of the ncs is tunable, spanning a wide range from 438 to 543 nm. room-temperature quantum yield for the ncs prepared at the optimal conditions reaches as high as 20% without any post-treatment. the znse:cu ncs prepared in a neutral aqueous solution (ph=8) are remarkably stable and exhibit comparatively high photoluminescent quantum yield (pl qy) as high as 17%. first-principles pseudopotential calculations using plane-wave basis functions have been performed. the formation energies of copper ions occupied in the interstitial octahedron and substitutional tetrahedral zn2+ sites have been calculated. the occupation of copper ions in the interstitial octahedral site is found to be more thermodynamics-facilitated by -0.98 ev. the density of state analysis indicates that the cu-related emission is primary dominated by the substitutional tetrahedral cu ions, and the large dopant related emission width of znse:cu ncs originated from the corresponding cu 3d impurity band. (c) 2013 elsevier b.v. all rights reserved.
收录类别	SCI收录期刊论文
语种	英语
WOS记录号	WOS:000323912400033
公开日期	2014-04-15
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/49520]
专题	长春应用化学研究所_长春应用化学研究所知识产出_期刊论文
推荐引用方式 GB/T 7714	Liang QS,Bai YJ,Han L,et al. Hydrothermal synthesis of ZnSe:Cu quantum dots and their luminescent mechanism study by first-principles[J]. journal of luminescence,2013,143:185-192.
APA	Liang QS.,Bai YJ.,Han L.,Deng XL.,Wu XJ.,...&Meng J.(2013).Hydrothermal synthesis of ZnSe:Cu quantum dots and their luminescent mechanism study by first-principles.journal of luminescence,143,185-192.
MLA	Liang QS,et al."Hydrothermal synthesis of ZnSe:Cu quantum dots and their luminescent mechanism study by first-principles".journal of luminescence 143(2013):185-192.