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5. Comparison of on-lattice kinetic Monte Carlo and mean field stochastic simulations in heterogeneous

Comparison of on-lattice kinetic Monte Carlo and mean field stochastic simulations in heterogeneous

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：forsoother

【摘 要】

：

As it explicitly accounts for spatial heterogeneities,correlations,and fluctuations of thesurface structure,the on-lattice kinetic Monte Carlo(kMC) is considered as a standard for the micro-kinetic mo

【作 者】

：

He Wang Zheng Chen Xin Xu 

【机 构】

：

Collaborative Innovation Center of Chemistry for Energy Materials,MOE Laboratory for Computational P

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年5期

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论文部分内容阅读

As it explicitly accounts for spatial heterogeneities,correlations,and fluctuations of thesurface structure,the on-lattice kinetic Monte Carlo(kMC) is considered as a standard for the micro-kinetic modelling of heterogeneous catalysis.

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