First-principles molecular-dynamics calculations on chemical reactions and atomic structures induced by H radical impinging onto Si(001)2 × 1:H Surface

Journal of Nanoscience and Nanotechnology

Volumn 11, Issue 4, 2011, Pages 2952-2955

  Inagaki, Kouji ^a,b   Kanai, Ryota ^a   Hirose, Kikuji ^a   Yasutake, Kiyoshi ^a,b  

^a OSAKA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Adsorption; Eley rideal reaction; First principles molecular dynamics; Hydrogen radical; Hydrogen terminated Si(001)2 1 surface

Indexed keywords

ATOMIC CONFIGURATION; DYNAMICS CALCULATIONS; ELEY-RIDEAL REACTION; HYDROGEN RADICAL; HYDROGEN-TERMINATED SI; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR-DYNAMICS CALCULATION; REACTION PROBABILITY;

ABSTRACTING; ADSORPTION; ATOMS; CALCULATIONS; CHEMICAL REACTIONS; HYDROGEN; KINETIC ENERGY; KINETICS; PROBABILITY; SILICON;

CRYSTAL ATOMIC STRUCTURE;

HYDROGEN; HYDROXYL RADICAL; SILICON;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; SURFACE PROPERTY;

COMPUTER SIMULATION; HYDROGEN; HYDROXYL RADICAL; MODELS, CHEMICAL; MODELS, MOLECULAR; SILICON; SURFACE PROPERTIES;

EID: 80051937706     PISSN: 15334880     EISSN: 15334899     Source Type: Journal    
DOI: 10.1166/jnn.2011.3905     Document Type: Article

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