Atomistic Insights into Nitrogen-Cycle Electrochemistry: A Combined DFT and Kinetic Monte Carlo Analysis of NO Electrochemical Reduction on Pt(100) - Chun, Hee-Joon; Apaja, Vesa; Clayborne, Andre; Honkala, Karoliina; Greeley, Jeffrey (ACS catalysis, 2017)
Keywords: NO electroreduction; Pt; electrocatalysis; density functional theory; kinetic Monte Carlo