10 citations · 11 across the 4 of their papers we have counts for
4 papers
Benchmarking short-range machine learning potentials for atomistic simulations of metal/electrolyte interfaces
Lucas B. T. de Kam, Jia-Xin Zhu, Ankit Mathanker +2
Atomistic simulations of electrochemical interfaces remain challenging due to the long time scales required to adequately sample the structure of the electric double layer. The eme…
Optimized tandem catalyst patterning for CO reduction flow reactors
Jack Guo, Thomas Roy, Nitish Govindarajan +7
Tandem catalysis involves two or more catalysts arranged in proximity within a single reaction vessel, with the aim of synergistically aligning the catalysts' reaction pathways to…
Insights into CO dimerization at electrified Cu interfaces from large-scale machine learning simulations
Sushree Jagriti Sahoo, Mikael Maraschin, Joel B Varley +7
Catalysis at solid-liquid interfaces underpins many energy technologies, yet ab initio simulations that capture interfacial dynamics remain prohibitively expensive. Here we introdu…
Alkaline CO electro-oxidation: Mechanistic Differences between Copper and Gold Single Crystals and Peculiarities of various Copper Facets
Aarti Tiwari, Nitish Govindarajan, Hendrik H. Heenen +3
Understanding CO electro-oxidation is crucial towards designing catalysts for electrochemically oxidizing complex organic molecules. Earth-abundant Copper (Cu) has recently been de…