Du, Naizhou Wei, Xubing Li, Xiaowei Chen, Zan Lu, Shiqi Ding, Jiaqing Feng, Cunao Chen, Kai Qiao, Jianghao Zhang, Dekun Lee, Kwang-Ryeol 2024-01-19T10:02:37Z 2024-01-19T10:02:37Z 2023-02-10 2023-03 0169-4332 https://pubs.kist.re.kr/handle/201004/113968 Ultra-low friction of amorphous carbon (a-C) film can be achieved by binding to hydrogen atoms or texturing conformations. However, it remains unclear how selective surface hydrogenation affects the friction behavior of textured a-C film. In particular, the corresponding transformation of interfacial structure and the movement of hydrogen atoms have not yet been reported because of the limitation of in-situ experimental characterization. Here, textured a-C films with selective hydrogenated surfaces were prepared, and the corresponding friction response and the transformation of interfacial structure were investigated systematically using reactive molec-ular dynamics simulation. Results showed that introducing hydrogen atoms to the selective bump sites of textured a-C surfaces significantly reduced the friction coefficient; however, its efficiency was closely sensitive to the hydrogen content, which was related to the interfacial passivation and the repulsion effect induced by H atoms. Most importantly, the separation of -CH clusters from textured a-C surface during sliding process and their re-bonding with the naked mating a-C surface played a key role in further enhancing the repulsive effect between contacted a-C surfaces, thereby improving the anti-friction behavior, which has not been mentioned in previous studies. These results suggest a new approach to develop the high-efficient a-C friction system for applications. English Elsevier BV Unraveling the friction response from selective hydrogenation of textured amorphous carbon surface Article 10.1016/j.apsusc.2022.156246 1 Applied Surface Science, v.614 Applied Surface Science 614 N scie scopus 000913764700001 2-s2.0-85144823226 Chemistry, Physical Materials Science, Coatings & Films Physics, Applied Physics, Condensed Matter Chemistry Materials Science Physics Article DIAMOND-LIKE CARBON MOLECULAR-DYNAMICS FILMS DEPENDENCE INSIGHTS MECHANISM Amorphous carbon Hydrogenation Textured surface Friction mechanism Reactive molecular dynamics