Data for: Density functional calculations of graphene-based humidity and carbon dioxide sensors: effect of silica and sapphire substrates

NIAID Data Ecosystem2026-03-10 收录

下载链接：

https://data.mendeley.com/datasets/gsyrfk5vrp

下载链接

链接失效反馈

官方服务：

资源简介：

Here comes the structure files for the three systems used in the paper, easily visualised using xCrysden and are convertible to any DFT code's input file. system1_CO2.xsf -- XCrySDen Structure File for system 1 with CO2 adsorbate. system1_H2O.xsf -- XCrySDen Structure File for system 1 with H2O adsorbate. system2_CO2.xsf -- XCrySDen Structure File for system 2 with CO2 adsorbate. system2_H2O.xsf -- XCrySDen Structure File for system 2 with H2O adsorbate. system3_CO2.xsf -- XCrySDen Structure File for system 3 with CO2 adsorbate. system3_H2O.xsf -- XCrySDen Structure File for system 3 with H2O adsorbate.

创建时间：

2017-06-22