中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules

文献类型:期刊论文

作者Rissner, Ferdinand1; Ma, ZhongYun2,3; Hofmann, Oliver T.1; Slugovc, Christian4; Shuai, Zhigang5; Zojer, Egbert1
刊名JOURNAL OF MATERIALS CHEMISTRY
出版日期2012
卷号22期号:10页码:4269-4272
ISSN号0959-9428
DOI10.1039/c2jm15056e
英文摘要Using density-functional theory band-structure calculations, we show how the exothermic adsorption of conjugated closed-shell organic semiconductor molecules on an Au(111) surface can turn them into radicals. For this to happen, we suggest the use of a thiocarbonyl docking group instead of the commonly applied thiols. The radicalisation of the adsorbed molecules resulting from the formation of the Au-S bond leads to reduced electron-and hole-injection barriers. The calculations predict two energetically close solutions for the adsorbed monolayer, one being non-magnetic and metallic and another being magnetic with reduced density of states at the Fermi energy.
语种英语
WOS记录号WOS:000300250200014
出版者ROYAL SOC CHEMISTRY
源URL[http://ir.iccas.ac.cn/handle/121111/47645]  
专题中国科学院化学研究所
通讯作者Zojer, Egbert
作者单位1.Graz Univ Technol, Inst Solid State Phys, A-8010 Graz, Austria
2.Chinese Acad Sci, Beijing Natl Lab Mol Sci BNLMS, Inst Chem, Key Lab Organ Solids, Beijing 100190, Peoples R China
3.Natl Univ Def Technol, Sch Aerosp & Mat Engn, Changsha 410073, Hunan, Peoples R China
4.Graz Univ Technol, Inst Chem & Technol Mat ICTM, A-8010 Graz, Austria
5.Tsinghua Univ, Dept Chem, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China
推荐引用方式
GB/T 7714
Rissner, Ferdinand,Ma, ZhongYun,Hofmann, Oliver T.,et al. Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules[J]. JOURNAL OF MATERIALS CHEMISTRY,2012,22(10):4269-4272.
APA Rissner, Ferdinand,Ma, ZhongYun,Hofmann, Oliver T.,Slugovc, Christian,Shuai, Zhigang,&Zojer, Egbert.(2012).Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules.JOURNAL OF MATERIALS CHEMISTRY,22(10),4269-4272.
MLA Rissner, Ferdinand,et al."Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules".JOURNAL OF MATERIALS CHEMISTRY 22.10(2012):4269-4272.

入库方式: OAI收割

来源:化学研究所

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