405 citations · 444 across the 2 of their papers we have counts for
4 papers
Interfacial water asymmetry at ideal electrochemical interfaces
Abhishek Shandilya, Kathleen Schwarz, Ravishankar Sundararaman
Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently…
Electrochemical Capacitance of CO-terminated Pt(111) is Dominated by CO-Solvent Gap
Ravishankar Sundararaman, Marta C. Figueiredo, Marc T. M. Koper +1
The distribution of electric fields within the electrochemical double layer depends on both the electrode and electrolyte in complex ways. These fields strongly influence chemical…
JDFTx: software for joint density-functional theory
Ravishankar Sundararaman, Kendra Letchworth-Weaver, Kathleen A. Schwarz +3
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing…
Partial oxidation of Step-Bound Water Leads to Anomalous pH Effects on Metal Electrode Step-Edges
Kathleen Schwarz, Bingjun Xu, Yushan Yan +1
The design of better heterogeneous catalysts for applications such as fuel cells and electrolyzers requires a mechanistic understanding of electrocatalytic reactions and the depend…