2026-10-12T04:54:49Z https://www.scidb.cn/oai

10.57760/sciencedb.39453 2026-06-09T14:41:34Z

2026-06-09 friction of two-dimensional materials doi:10.57760/sciencedb.39453 en Based on the self-developed first principles based high-throughput calculation platform for solid interface frictional properties (LICP-FPHTC Platform), the entire process of modeling and data processing has been automated. In the LICP-FPHTC Platform, first principles calculations are performed using the Vienna de novo simulation package (VASP) within the density functional theory (DFT) framework. This dataset contains the frictional potential barriers of heteroatom doped graphene at different concentrations and interlayer spacings.  friction; two-dimensional materials; first principles zhao li PUBLIC https://creativecommons.org/licenses/by/4.0/ dataset Science Data Bank