First-Principles Study on the Nanofriction Properties of Diamane: The Thinnest Diamond Film

• Published in: Nanomaterials (Basel, Switzerland) Vol. 12; no. 17; p. 2939
• Main Authors: Wang, Jianjun, Li, Lin, Wang, Jiudong, Yang, Wentao, Guo, Peng, Li, Meng, Liu, Dandan, Zeng, Haoxian, Zhao, Bin
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 26.08.2022; MDPI
• Subjects: Carbon; charge distribution; Coefficient of friction; Comparative analysis; Comparative studies; Density functional theory; density functional theory (DFT); diamane; Diamond films; Energy; First principles; Force and energy; Friction; Graphene; Hybridization; Interlayers; Mathematical analysis; Mechanical properties; Nanotechnology devices; Potential energy; Surface charge; Thermal properties; Thermodynamic properties; Tribology

Diamane, the thinnest sp3-hybridized diamond film, has attracted great interest due to its excellent mechanical, electronic, and thermal properties inherited from both graphene and diamond. In this study, the friction properties of surface hydrogenated and fluorinated diamane (H- and F-diamane) are...