Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H2 Production and Oxidation

Journal Article
ACS Catalysis, vol. 4, iss. 1, pp. 229-242, 2013
Authors
Shentan Chen, Ming-Hsun Ho, R. Morris Bullock, Daniel L. DuBois, Michel Dupuis, Roger Rousseau, Simone Raugei
English