Theoretical study of silicon-sulfur clusters (SiS2)(n) (n=1-6)
Wang, SF; Feng, JK; Sun, CC; Liu, P; Gao, Z; Kong, FA
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
WOS IDWOS:000169959500001
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Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
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
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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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