First-principles study of the thermally induced polymerization of cyclopentasilane

Computational Materials Science

Volumn 49, Issue 1 SUPPL., 2010, Pages

  Dung, Phan Viet ^a   Lam, Pham Tien ^a   Duc, Nguyen Dinh ^b   Sugiyama, Ayumu ^a   Shimoda, Tatsuya ^a,c   Chi, Dam Hieu ^a,b,c  

^a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

^b VIETNAM NATIONAL UNIVERSITY   (Viet Nam)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Cyclopentasilane; First principle calculation; Polymerization

Indexed keywords

AB INITIO; CYCLOPENTASILANE; DENSITY-FUNCTIONAL METHODS; DIFFERENT STRUCTURE; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; MOLECULAR DYNAMICS SIMULATIONS; REACTION PATHWAYS; THERMALLY INDUCED; VIBRATION MODES;

POLYMERIZATION; POLYMERS;

SILICON;

EID: 77955417916     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.02.042     Document Type: Article

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