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《Journal of Anhui Normal University(Natural Science)》 2009-01
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Monte Carlo Simulation of CO Oxidation Reaction on Pt(100) Surface at Finite Temperatures

CAO Wei-Ping(1.Department of Physics,Lishui University,Lishui 323000,China;2.Department of Physics,Zhejiang University,Hangzhou 310027,China)  
By use of the model A+1/2B2→0,CO catalytic oxidation reaction on Pt(100) surface was studied.The surface reconstruction conditions and the interaction of absorbed particles and potential barriers in reaction were considered.The reaction curves at different temperatures with different parameters were simulated.For some parameters,we found that the simulation results are coincident with experimental results.The results indicate that the potential energies and surface reconstructions play important roles in reaction.The distributions and concentrations of absorbed particles and products were analyzed and the transition from high reactivity to low reactivity was explained.
【Fund】: 浙江省自然科学基金(Y606128);; 丽水学院青年基金(QN07017)
【CateGory Index】: O469
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Chinese Journal Full-text Database 2 Hits
1 CHEN Qing-hu, RUAN Yong-Hong(Department of Physics, Zhejiang University, Hangzhou 310027, China);THE STUDY ON STABILITY OF BIPOLARIONS IN QUANTUM DOTS[J];Journal of Anhui Normal University(Natural Science);2005-01
2 CHEN Qing-hu,NIE Qing-miao(Department of Physics,Zhejiang University,Hangzhou 310027,China);Non-equilibrium Phase Transitions in Superconducting System[J];Journal of Anhui Normal University(Natural Science);2008-01
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