Aleksandra Vojvodic

Steam Reforming on Transition-Metal Carbides from Density-Functional Theory

Solar hydrogen production with semiconductor metal oxides: new directions in experiment and theory

2010

Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations

Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

2010

Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory

Trends in bulk electron-structural features of rocksalt early transition-metal carbides

Reactivity of Transition-Metal Compounds from Electronic Structure

Chracterization of MoS2 Magnetic States Using Density-Functional Theory

From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

Nature of Versatile Chemisorption on TiC(111) and TiN(111) Surfaces

TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings

Nature of Chemisorption on Titanium Carbide and Nitride

Towards a Chemisorption Model for Transition-Metal Nitrides and Carbides from Density-Functional Theory: A TiN and TiC Case Study

Trends in Atomic Adsorption on Titanium Carbide and Nitride