Physics Commons^™

Symmetry And Interface Considerations For Interactions On Mos2, Prescott E. Evans

Department of Physics and Astronomy: Dissertations, Theses, and Student Research

The critical role of symmetry, in adsorbate-MoS₂ interactions, has been demonstrated through a variety of electronic structure, topology, and catalytic studies of MoS₂ and MoS₂ composites.A combination of density functional theory and experiment exhibiting diiodobenzene isomer dependent adsorption rates highlight frontier orbital symmetry as key to adsorption on MoS₂. It is clear that the geometry and symmetry of MoS₂ influences the creation and stability of surface defects, that in turn affect catalytic activity and a myriad of other applications. We have shown that surface reactions such the methanol to methoxy reaction can create defects …