activity
20062010
most citedCobalt-Porphyrin Catalyzed Electrochemical Reduction of Carbon Dioxide in Water II: Mechanism from First Principles

145 citations · 260 across the 3 of their papers we have counts for

collaborators
Showing cond-mat.mtrl-sciShow all

1 paper · 1 filter

cond-mat.mtrl-sci2006★ 101 cited

Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields

Kevin Leung, Susan B. Rempe, Peter A. Schultz +4

We apply Density Functional Theory (DFT) and the DFT+U technique to study the adsorption of transition metal porphine molecules on atomistically flat Au(111) surfaces. DFT calculat…