Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals

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	Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals
	C. H. Sun; A. J. Du; G. Liu; S. Z. Qiao; G. Q. Lu; S. C. Smith
	2010
发表期刊	Solid State Communications
ISSN	0038-1098
卷号	150 期号:19-20 页码:957-960
摘要	The surface formation energies of four low-indexed surfaces, including (001), (100), (110) and (011), of tin dioxide (SnO(2)) terminated by nonmetals (H, N, O, F, Cl, Br, and I) have been studied with the frameworks of density functional theory. A strong dependence of relative surface stabilities on surface atoms has been presented based on the calculations. Several instructions, in particular the selection of specific precursors and morphology controlling agents, have been further illustrated as a guideline for experimentalists. (C) 2010 Elsevier Ltd. All rights reserved.
部门归属	[sun, chenghua] univ queensland, brisbane, qld, australia. [sun, chenghua; du, aijun; smith, sean c.] univ queensland, australian inst bioengn & nanotechnol, ctr computat mol sci, brisbane, qld 4072, australia. [liu, gang] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;sun, ch (reprint author), 27 witherspoon st, princeton, nj 08542 usa;c.sun1@uq.edu.au maxlu@uq.edu.au s.smith@uq.edu.au
关键词	Tin Dioxide Surface Stability Density Functional Theory Sno2 110 Surface 1st-principles Calculations Single-crystals Oxide Surface 001 Facets Oxygen Chemistry Dissociation Conductivity Nanosheets
URL	查看原文
WOS记录号	WOS:000277739100013
引用统计	被引频次：10[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/31456
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	C. H. Sun,A. J. Du,G. Liu,et al. Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals[J]. Solid State Communications,2010,150(19-20):957-960.
APA	C. H. Sun,A. J. Du,G. Liu,S. Z. Qiao,G. Q. Lu,&S. C. Smith.(2010).Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals.Solid State Communications,150(19-20),957-960.
MLA	C. H. Sun,et al."Formation energies of low-indexed surfaces of tin dioxide terminated by nonmetals".Solid State Communications 150.19-20(2010):957-960.