Electrochimica Acta, Vol.52, No.18, 5512-5516, 2007
Ligand effects in heterogeneous catalysis and electrochemistry
Ligand effects in surface reactivity are discussed on the basis of extensive density functional theory calculations. The d-band model is reviewed and it is shown that it can be used to rationalize trends in reactivity in heterogeneous catalysis and electrochemistry. (c) 2007 Elsevier Ltd. All rights reserved.