A monte-carlo/molecular dynamics study of the diffusional recombination kinetics of C(a) + O(a) → CO(g) on Pt(111)期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

按检索

A monte-carlo/molecular dynamics study of the diffusional recombination kinetics of C_(a) + O_(a) → CO_(g) on Pt(111)

Authors:	Jimmie D Doll David L Freeman

Institution:	Los Alamos National Laboratory, Chemistry Division, University of California, MS G738, P.O. Box 1663, Los Alamos, New Mexico 87545, USA

Abstract:	The diffusion constants for C and O adsorbates on Pt(111) surfaces have been calculated with Monte-Carlo/Molecular Dynamics techniques. The diffusion constants are determined to be D_C(T)=(3.4 × 10^?3e^{$?13156 T$})cm²s^?1 for carbon and D_O(T) = (1.5×10^?3 e^{$?9089 T$}) cm² s^?1 for oxygen. Using a recently developed diffusion model for surface recombination kinetics an approximate upper bound to the recombination rate constant of C and O on Pt(111) to produce CO_(g) is found to be (9.4×10^?3 e^{$?9089 T$}) cm² s^?1.

Keywords:
本文献已被 ScienceDirect 等数据库收录！