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cond-mat.mtrl-sci2023
Theoretical investigation on potential of zero free charge of (111) and (100) surfaces of Group 10 and 11 metals
Jack Jon Hinsch, Jessica Jein White, Yun Wang
The potential of zero free charge (PZFC) value is a crucial parameter in electrochemistry. However, the evaluations of PZFC have traditionally been difficult. To overcome this chal…
cond-mat.mtrl-sci2023
Revisiting the Electrified Pt(111)/Water Interfaces through an Affordable Double-Reference ab-initio Approach
Jack Jon Hinsch, Assil Bouzid, Jordan Clive Barker +4
The electrified solid-liquid interface plays an essential role in many renewable energy-related applications, including hydrogen production and utilization. Limitations in computat…