Understanding the unusual friction behavior of hydrogen-free diamond-like carbon films in oxygen atmosphere by first-principles calculations | |
Wang LP(王立平)1,3; Cui LC(崔龙辰)2,3; Lu ZB(鲁志斌)3; Zhou, Hui2 | |
刊名 | Carbon |
2016 | |
卷号 | 100页码:556-563 |
ISSN号 | 0008-6223 |
通讯作者 | 王立平 |
英文摘要 | The friction coefficients of diamond and hydrogen-free diamond-like carbon films were reported to be in an intermediate range, from 0.2 to 0.4, in oxygen atmosphere, but the mechanism has not been explored. Herein, by using first-principles calculations, we attempt to fill this gap by providing atomistic insights into the bonding behaviors of oxygen atom(s) at interfaces constructed by two self-mated diamond (001) or (111) surfaces. The effect of the interfacial oxygen coverage on the optimized interfacial structures is highlighted. The results show that if the oxygen coverage is not higher than 0.5, the two surfaces tend to be connected by oxygen atoms by formation of C–O–C bonds, and thus high friction is expected. Otherwise, the two surfaces keep being separated, and thus low friction is expected. The interfacial electron distributions are manifested to underlie the structural optimizations. Insights gained here together with the findings of T. E. Derry et al. concerning oxygen coverage on diamond surfaces contribute to understanding the unusual frictional behavior of hydrogen-free diamond-like carbons in oxygen atmosphere. |
学科主题 | 材料科学与物理化学 |
收录类别 | SCI |
资助信息 | the National Key Basic Research Program (No. 2014CB643302);National Natural Science Foundation of China (Grant No. 51322508) |
语种 | 英语 |
WOS记录号 | WOS:000369961400063 |
内容类型 | 期刊论文 |
源URL | [http://210.77.64.217/handle/362003/19735] |
专题 | 兰州化学物理研究所_固体润滑国家重点实验室 |
作者单位 | 1.Chinese Acad Sci, Key Lab Marine Mat & Related Technol, Ningbo Inst Mat Technol & Engn, Zhejiang Key Lab Marine Mat & Protect Technol, Ningbo 315201, Zhejiang, Peoples R China 2.Lanzhou Inst Phys, Sci & Technol Vacuum Technol & Phys Lab, Lanzhou 730000, Peoples R China 3.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China |
推荐引用方式 GB/T 7714 | Wang LP,Cui LC,Lu ZB,et al. Understanding the unusual friction behavior of hydrogen-free diamond-like carbon films in oxygen atmosphere by first-principles calculations[J]. Carbon,2016,100:556-563. |
APA | Wang LP,Cui LC,Lu ZB,&Zhou, Hui.(2016).Understanding the unusual friction behavior of hydrogen-free diamond-like carbon films in oxygen atmosphere by first-principles calculations.Carbon,100,556-563. |
MLA | Wang LP,et al."Understanding the unusual friction behavior of hydrogen-free diamond-like carbon films in oxygen atmosphere by first-principles calculations".Carbon 100(2016):556-563. |
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