ICCAS OpenIR
Theoretical study of silicon-sulfur clusters (SiS2)(n) (n=1-6)
Wang, SF; Feng, JK; Sun, CC; Liu, P; Gao, Z; Kong, FA
2001-07-01
Source PublicationTHEORETICAL CHEMISTRY ACCOUNTS
ISSN1432-881X
Volume106Issue:3Pages:163-170
AbstractThe possible geometrical structures and relative stability of (SiS2)(n) (n = 1-6) silicon-sulfur clusters are explored by means of density functional theory quantum chemical calculations. The effects of polarization functions and electron correlation are included in these calculations. The electronic structures and vibrational spectra of the most stable geometrical structures of (SiS2)(n) are analyzed by the same method. As a result, the regularity of the (SiS2)(n), cluster growth is obtained, and the calculation may used for predicting the formation mechanism of the (SiS2)(n) cluster.
KeywordSilicon-sulfur Clusters Geometry Electronic Structure Vibrational Spectra
Indexed BySCI
Language英语
WOS IDWOS:000169959500001
PublisherSPRINGER-VERLAG
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/78006
Collection中国科学院化学研究所
Corresponding AuthorFeng, JK
Affiliation1.Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130023, Peoples R China
2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Wang, SF,Feng, JK,Sun, CC,et al. Theoretical study of silicon-sulfur clusters (SiS2)(n) (n=1-6)[J]. THEORETICAL CHEMISTRY ACCOUNTS,2001,106(3):163-170.
APA Wang, SF,Feng, JK,Sun, CC,Liu, P,Gao, Z,&Kong, FA.(2001).Theoretical study of silicon-sulfur clusters (SiS2)(n) (n=1-6).THEORETICAL CHEMISTRY ACCOUNTS,106(3),163-170.
MLA Wang, SF,et al."Theoretical study of silicon-sulfur clusters (SiS2)(n) (n=1-6)".THEORETICAL CHEMISTRY ACCOUNTS 106.3(2001):163-170.
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