Electronic Structure Engineering in Heterogeneous Catalysis: Identifying Novel Alloy Catalysts Based on Rapid Screening for Materials with Desired Electronic Properties
Ab-Initio Studies of Electron-assisted Chemical Bond Activation on Plasmonic Metal Nanoparticles
Establishing the Connection between Geometric and Electronic Structures of Oxygen Species on Ag Surfaces: First-principles DFT and Monte Carlo Studies
Plasmonic Metal Nanostructures for Solar Water Splitting and Light-Driven Selective Partial Oxidation of Olefins
Ab-Initio Studies of Electron-assisted Chemical Bond Activation on Plasmonic Metal Nanoparticles
Establishing the Connection between Geometric and Electronic Structures of Oxygen Species on Ag Surfaces: First-principles DFT and Monte Carlo Studies
Plasmonic Metal Nanostructures for Solar Water Splitting and Light-Driven Selective Partial Oxidation of Olefins
Density Functional Theory Investigation of the Mechanism of Propane Ammoxidation over Mo-V-Te-Nb-O M1 Catalyst
Role of Oxygen Vacancies in the Activation of Acetaldehyde on CeO2(111) Surfaces
Metal-free Oxidative Dehydrogenation of Isobutane by Functionalized Carbon
Ta and Nb Locations in Mo-V-Te-(Ta, Nb)-O M1 Phases and Their Role in Selective Propane Ammoxidation to Acrylonitrile
Mechanism of Propane Ammoxidation over Mo-V-Te-Nb-O M1 Catalyst Investigated Using Density Functional Theory
Role of Oxygen Vacancies in the Activation of Acetaldehyde on CeO2(111) Surfaces
Metal-free Oxidative Dehydrogenation of Isobutane by Functionalized Carbon
Ta and Nb Locations in Mo-V-Te-(Ta, Nb)-O M1 Phases and Their Role in Selective Propane Ammoxidation to Acrylonitrile
Mechanism of Propane Ammoxidation over Mo-V-Te-Nb-O M1 Catalyst Investigated Using Density Functional Theory