Supporting Information
收藏DataCite Commons2025-03-27 更新2025-05-03 收录
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https://aip.figshare.com/articles/dataset/Supporting_Information/28570109/1
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资源简介：
Tabulated numeric data discussed in main text including calculated Gibbs free energy (G = E + ZPE - TS), binding energy, aggregation energy, magnetic moment, band gap, Fermi level, work function, adsorption free energy, charge transfer, selectivity, and sensitivity; Projected 2D slice of ELF, energy profile in AIMD simulations, and adsorption configurations; Additional computational details.
提供机构：
AIP Publishing
创建时间：
2025-03-27
