Structure of MAPbI3 surface models in VASP format
收藏NIAID Data Ecosystem2026-03-14 收录
下载链接：
https://zenodo.org/record/6983470
下载链接
链接失效反馈官方服务：
资源简介：
Structure of MAPbI3 surface models in VASP format, with the slab thickness of 6 stoichiometric units, along (001) planes. These models were generated for the study published in reference 1.
(1) Lodeiro, L.; Barría-Cáceres, F.; Jiménez, K.; Contreras, R.; Montero-Alejo, A. L.; Menéndez-Proupin, E. Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion. ACS Omega 2020, 5 (45), 29477–29491. https://doi.org/10.1021/acsomega.0c04420.
创建时间：
2022-09-19
