2026-10-11T20:54:59Z https://www.scidb.cn/oai

10.57760/sciencedb.39289 2026-06-08T16:59:31Z

2026-06-08 Friction barrier of heteroatom-doped graphene doi:10.57760/sciencedb.39289 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.  graphene; friction; doping Zhao Li PUBLIC https://creativecommons.org/licenses/by/4.0/ dataset Science Data Bank