Tight-binding molecular dynamics simulation of Si-H bond dissociation in silicon clusters

International Journal of Quantum Chemistry

Volumn 93, Issue 5, 2003, Pages 351-359

  Khakimov, Z M ^a   Umarova, F T ^a   Sulaymonov, N T ^a   Kiv, A E ^b   Levin, A A ^c  

^a INSTITUTE OF NUCLEAR PHYSICS   (Uzbekistan)

^b BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

^c KURNAKOV INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Hydrogen; Si H bond dissociation; Silicon clusters; Tight binding MD simulations

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; INTERFACES (MATERIALS); NANOSTRUCTURED MATERIALS; POROSITY; SILICON; SOLAR CELLS;

BOND DISSOCIATION;

MOLECULAR DYNAMICS;

EID: 0037767294     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10573     Document Type: Article

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