114 citations · 146 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2010★ 32 cited
Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: A trend study of surface electronic factors
Aleksandra Vojvodic, Carlo Ruberto, Bengt I. Lundqvist
This study explores atomic and molecular adsorption on a number of early transition-metal carbides (TMC's) by means of density-functional theory calculations. Trend studies are con…
physics.comp-ph2009★ 114 cited
From electronic structure to catalytic activity: A single descriptor for adsorption and reactivity on transition-metal carbides
Aleksandra Vojvodic, Anders Hellman, Carlo Ruberto +1
Adsorption and catalytic properties of the polar (111) surface of transition-metal carbides (TMC's) are investigated by density-functional theory. Atomic and molecular adsorption a…