Exploring the low-friction mechanism of CNx films in inertatmospheres by first-principles calculations

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	Exploring the low-friction mechanism of CNx films in inertatmospheres by first-principles calculations
	Cui LC(崔龙辰); Lu ZB(鲁志斌); Wang LP(王立平)
刊名	Applied Surface Science
	2015
卷号	356 页码:1082-1085
关键词	CNx films Friction mechanism Lone-pair Dangling bond First-principles calculation
ISSN号	0169-4332
通讯作者	王立平
英文摘要	Amorphous CN_x 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 CN_x films in inert atmospheres.
学科主题	材料科学与物理化学
收录类别	SCI
资助信息	the National Natural Science Foundation of China (Grant Nos. 51322508;11172300)
语种	英语
内容类型	期刊论文
源URL	[http://210.77.64.217/handle/362003/18841]
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	State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000, China
推荐引用方式 GB/T 7714	Cui LC,Lu ZB,Wang LP. Exploring the low-friction mechanism of CNx films in inertatmospheres by first-principles calculations[J]. Applied Surface Science,2015,356:1082-1085.
APA	Cui LC,Lu ZB,&Wang LP.(2015).Exploring the low-friction mechanism of CNx films in inertatmospheres by first-principles calculations.Applied Surface Science,356,1082-1085.
MLA	Cui LC,et al."Exploring the low-friction mechanism of CNx films in inertatmospheres by first-principles calculations".Applied Surface Science 356(2015):1082-1085.