Adhesive transfer at copper/diamond interface and adhesion reduction mechanism with fluorine passivation: A first-principles study | |
Department | 固体润滑国家重点实验室 |
Liu, Zengjia1,2,3; Zheng, Shaoxian1; Lu ZB(鲁志斌)2; Pu JB(蒲吉斌)3; Zhang GA(张广安)2; Lu ZB(鲁志斌); Pu JB(蒲吉斌) | |
2018 | |
Source Publication | Carbon |
ISSN | 0008-6223 |
Volume | 127Pages:548-556 |
Abstract | Tribological behavior of Cu is peculiar among soft metal when it rubs on diamond flat in experiments, and passivating element F and H at Cu/diamond interface can affect mechanical properties and even tribological characteristics as well, related special adhesive transfer (fracture location) and adhesion tuning mechanism at Cu/diamond interface remain obscure. Here, we investigate the interfacial structure change, electronic and mechanical properties of Cu/diamond and interface with fully F passivation (Cu/diamond:F) through first-principles calculations. The study shows that Cu(111)/diamond(111) interface exhibits the special phenomenon of adhesive transfer (different cleavage location and interfacial strength under applied load) due to adhesion, and this contribute to different frictional properties among soft metal. The effect on mechanical properties of F at Cu/diamond interface is studied systematically, passivation of fluorine on diamond surface reduces work of separation of the interface significantly, from 3.64 to 0.02 J/m2. Combining with kinetic analysis, we gain that fluorine might be a kind of promising adhesion-reducing element at interface and improve related tribological characteristics of Cu(111)/diamond(111) system. The results of this study benefit the understanding of different tribological properties of Cu/diamond system, adhesion reduction mechanism of fluorine at interface and its effect on tribological behavior at atomic scale. |
Keyword | First-principles Work Of Separation Adhesive Transfer Adhesion-reducing Element |
Subject Area | 材料科学与物理化学 |
DOI | 10.1016/j.carbon.2017.11.027 |
Funding Organization | National Natural Science Foundation of China (Grant No. 51775535);Key Program of the Chinese Academy of Sciences (No. QYZDY-SSW-JSC009);the Natural Science Foundation of Zhejiang Province of China (No. LZ17E050004) |
Indexed By | SCI |
Language | 英语 |
Funding Project | 低维材料摩擦学研究组 |
compositor | 第二作者单位 |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://ir.licp.cn/handle/362003/23793 |
Collection | 固体润滑国家重点实验室(LSL) |
Corresponding Author | Lu ZB(鲁志斌); Pu JB(蒲吉斌) |
Affiliation | 1.Lanzhou Jiaotong Univ, Sch Mechatron Engn, Lanzhou 730000, Gansu, Peoples R China 2.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Gansu, Peoples R China 3.Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Key Lab Marine Mat & Related Technol, Key Lab Marine Mat & Protect Technol Zhejiang Pro, Ningbo 315201, Zhejiang, Peoples R China |
Recommended Citation GB/T 7714 | Liu, Zengjia,Zheng, Shaoxian,Lu ZB,et al. Adhesive transfer at copper/diamond interface and adhesion reduction mechanism with fluorine passivation: A first-principles study[J]. Carbon,2018,127:548-556. |
APA | Liu, Zengjia.,Zheng, Shaoxian.,Lu ZB.,Pu JB.,Zhang GA.,...&蒲吉斌.(2018).Adhesive transfer at copper/diamond interface and adhesion reduction mechanism with fluorine passivation: A first-principles study.Carbon,127,548-556. |
MLA | Liu, Zengjia,et al."Adhesive transfer at copper/diamond interface and adhesion reduction mechanism with fluorine passivation: A first-principles study".Carbon 127(2018):548-556. |
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