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Dataset from Nature Catalysis paper: Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction

Year: 2022

Type: dataset

Abstract: Dataset of the article "Unriddling the role of alkali metal cations and Pt-surface hydroxide in alkaline hydrogen evolution reaction" accepted in Nature Catalysis. The optimized geometries (in VASP format) and full 100-ps AIMD trajectories (in xyz format) of Pt(111)/water interface with alkali metal cations (Li+, Na+, K+) and with or without surface *OH.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.7026970

Authors: Shah, Aamir Hassan, Zhang, Zisheng, Huang, Zhihong, Wang, Sibo, Zhong, Guangyan, Wan, Chengzhang, Alexandrova, Anastassia N., Huang, Yu, Duan, Xiangfeng

Institution: University of California, Los Angeles

Language: English

Topic: Electrocatalysts for Energy Conversion

Subfield: Renewable Energy, Sustainability and the Environment

Field: Energy

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W4393467663

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