First Principles Micro-kinetic Model of Catalytic Non-oxidative Dehydrogenation of Ethane over Close-packed Metallic Facets

Python code and raw data for the micro-kinetic model, presented in "First Principles Micro-kinetic Model of Catalytic Non-oxidative Dehydrogenation of Ethane over Close-packed Metallic Facets".本数据集收录了发表于《密排金属晶面上乙烷催化非氧化脱氢的第一性原理微观动力学模型》一文的微观动力学模型（micro-kinetic model）所用的Python代码与原始数据。