V. Sharma

How Surface Vacancies Alter Electrocatalytic CO2 Reduction Pathways on Cu(111): Insights from Embedded Correlated Wavefunction Theory

Point defects modify the local coordination environment of crystalline surfaces, creating distinct morphological features accessible to reaction intermediates during catalysis. Here we investigate how surface vacancies on a Cu(111) electrode influence the thermodynamics of primary electrochemical CO2 reduction interm...