DFT insights to mercury species mechanism on pure and Mn doped Fe3O4(1 1 1) surfaces
Jiamin Chen, Wenxin Zhu, Xiong Chang, Ding Ding, Tingting Zhang, Changsong Zhou, Hao Wu, Hongmin Yang, Lushi Sun
Topics & Concepts
AdsorptionDissociation (chemistry)ChemistryDensity functional theoryDopingMercury (programming language)Atom (system on chip)CatalysisInorganic chemistryExothermic processTransition metalPhysical chemistryExothermic reactionComputational chemistryMaterials scienceOrganic chemistryOptoelectronicsComputer scienceProgramming languageEmbedded systemMercury impact and mitigation studiesnanoparticles nucleation surface interactions