DICP OpenIR
Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation
Huang, Xiaoming1; Xu, Hong-Guang2; Lu, Shengjie2; Su, Yan1; King, R. B.3,4; Zhao, Jijun1,5; Zheng, Weijun2
Source PublicationNANOSCALE
2014
DOI10.1039/c4nr03130j
Volume6Issue:24Pages:14617-14621
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS KeywordMOLECULAR-ORBITAL CALCULATIONS ; GENETIC ALGORITHMS ; STABILITY ; STATES ; RULE ; ZN
AbstractOur studies show that VSi12- adopts a V-centered hexagonal prism with a singlet spin state. The addition of the second V atom leads to a capped hexagonal antiprism for V2Si12- in a doublet spin state. Most interestingly, V3Si12- exhibits a ferrimagnetic, bicapped hexagonal antiprism wheel-like structure with a total spin of 4 mu(B).
Language英语
WOS IDWOS:000345458200002
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/145734
Collection中国科学院大连化学物理研究所
Affiliation1.Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
3.Univ Georgia, Dept Chem, Athens, GA 30602 USA
4.Univ Georgia, Ctr Computat Chem, Athens, GA 30602 USA
5.Beijing Computat Sci Res Ctr, Beijing 100089, Peoples R China
Recommended Citation
GB/T 7714
Huang, Xiaoming,Xu, Hong-Guang,Lu, Shengjie,et al. Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation[J]. NANOSCALE,2014,6(24):14617-14621.
APA Huang, Xiaoming.,Xu, Hong-Guang.,Lu, Shengjie.,Su, Yan.,King, R. B..,...&Zheng, Weijun.(2014).Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation.NANOSCALE,6(24),14617-14621.
MLA Huang, Xiaoming,et al."Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation".NANOSCALE 6.24(2014):14617-14621.
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