Understanding the unusual friction behavior of hydrogen-free diamond-like carbon films in oxygen atmosphere by first-principles calculations | |
Department | 固体润滑国家重点实验室 |
Wang LP(王立平)1,3; Cui LC(崔龙辰)2,3; Lu ZB(鲁志斌)3; Zhou, Hui2; Wang LP(王立平) | |
2016 | |
Source Publication | Carbon |
ISSN | 0008-6223 |
Volume | 100Pages:556-563 |
Abstract | 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. |
Subject Area | 材料科学与物理化学 |
DOI | 10.1016/j.carbon.2016.01.060 |
Funding Organization | the National Key Basic Research Program (No. 2014CB643302);National Natural Science Foundation of China (Grant No. 51322508) |
Indexed By | SCI |
If | 6.337 |
Language | 英语 |
Funding Project | 低维材料摩擦学组 |
compositor | 第三作者单位 |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://ir.licp.cn/handle/362003/19735 |
Collection | 固体润滑国家重点实验室(LSL) |
Corresponding Author | Wang LP(王立平) |
Affiliation | 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 |
Recommended Citation 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,&王立平.(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. |
Files in This Item: | ||||||
File Name/Size | DocType | Version | Access | License | ||
1-s2.0-S000862231630(2174KB) | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment