DFT data, MC data and MC software for "Non-Monotonic Variation of Potential-Dependent Surface Diffusion at Electrochemical Interfaces in the Presence of Coadsorbates"
收藏DataCite Commons2026-01-28 更新2025-04-16 收录
下载链接：
https://opendata.uni-kiel.de/receive/fdr_mods_00000113
下载链接
链接失效反馈官方服务：
资源简介：
This repository contains input and output data for density-functional simulations (as obtained by Quantum ESPRESSO) and Monte Carlo (MC) simulation data, as well as the MC software used to create them, for the scientific paper C. Yang, R. Amirbeigiarab, S. Buttenschön, E. Pehlke, O. M. Magnussen, Angew. Chem. Int. Ed. 64, e202419390 (2025). (https://doi.org/10.1002/anie.202419390)
提供机构：
Kiel University
创建时间：
2025-04-15
