| Exploring the low-friction mechanism of CNx films in inert atmospheres by first-principles calculations | |
| Department | 固体润滑国家重点实验室 |
Cui LC(崔龙辰) ; Lu ZB(鲁志斌); Wang LP(王立平); Wang LP(王立平)
| |
| 2015 | |
| Source Publication | Applied Surface Science
 |
| ISSN | 0169-4332 |
| Volume | 356Pages:1082-1085 |
| Abstract | Amorphous CNx films show low friction coefficients in inert atmospheres, but the mechanism is still not well understood. Here we find that, by first-principles calculations, the dangling bonds on a diamond (1 1 1) surface are replaced with lone-pairs when nitrogen atoms are doped in the 1st or the 2nd top layer, and an ‘electron transfer passivation mechanism’ is identified. Then, two feasible ways for nitrogen atoms to present in the surface layer during the process of wear are suggested. On the basis of the insights gained, we propose a mechanism that highlights the positive role of the nitrogen lone-pairs in the formation of a weak-interacting interface between the friction-induced ‘graphitized’ layer and the intact below part, which is believed to be the reason for the low-frictions of CNx films in inert atmospheres. |
| Keyword | Cnx Films Friction Mechanism Lone-pair Dangling Bond First-principles Calculation |
| Subject Area | 材料科学与物理化学 |
| DOI | 10.1016/j.apsusc.2015.08.207 |
| Funding Organization | the National Natural Science Foundation of China (Grant Nos. 51322508;11172300) |
| Indexed By | SCI |
| If | 3.150 |
| Language | 英语 |
| Funding Project | 低维材料摩擦学组 |
| compositor | 第一作者单位 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.licp.cn/handle/362003/19113 |
| Collection | 固体润滑国家重点实验室（LSL） |
| Corresponding Author | Wang LP(王立平) |
| Affiliation | Chinese Acad Sci, Lanzhou Inst Chem Phys, Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China |
| Recommended Citation GB/T 7714 | Cui LC,Lu ZB,Wang LP,et al. Exploring the low-friction mechanism of CNx films in inert atmospheres by first-principles calculations[J]. Applied Surface Science,2015,356:1082-1085. |
| APA | Cui LC,Lu ZB,Wang LP,&王立平.(2015).Exploring the low-friction mechanism of CNx films in inert atmospheres by first-principles calculations.Applied Surface Science,356,1082-1085. |
| MLA | Cui LC,et al."Exploring the low-friction mechanism of CNx films in inert atmospheres by first-principles calculations".Applied Surface Science 356(2015):1082-1085. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| 1-s2.0-S016943321502（1231KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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