Exploring the Evolution Mechanism of Sulfur Vacancies by Investigating the Role of Vacancy Defects in the Interaction between H<sub>2</sub>S and the FeS(001) Surface
Jingxuan Liang, Xiangli Wen, Shikai Wei, Shuqi Zheng
Abstract
on the FeS(001) surface is intensely difficult to form and exist in the actual environment through the calculation results.
Topics & Concepts
Dissociation (chemistry)Vacancy defectAdsorptionEndothermic processDensity functional theoryActivation energyExothermic reactionLimitingDiffusion barrierActivation barrierChemical physicsChemistryHydrogenMaterials scienceCrystallographyPhysical chemistryComputational chemistryNanotechnologyEngineeringOrganic chemistryLayer (electronics)Mechanical engineeringChemical Looping and Thermochemical ProcessesIndustrial Gas Emission ControlCatalysis and Hydrodesulfurization Studies