Ultralow Interlayer Friction of Layered Electride Ca2N: A Potential Two-Dimensional Solid Lubricant Material

被引：16

作者：

Wang, Jianjun ^{[1
,2
]}

Li, Lin ^{[3
]}

Shen, Ziting ^{[1
,2
]}

Guo, Peng ^{[1
,2
]}

Li, Meng ^{[1
,2
]}

Zhao, Bin ^{[1
,2
]}

Fang, Lili ^{[1
,2
]}

Yang, Linfeng ^{[1
,2
]}

机构：

[1] Zhongyuan Univ Technol, Computat & Design Ctr Low Dimens Quantum Mat, Zhengzhou 450007, Henan, Peoples R China

[2] Zhongyuan Univ Technol, Coll Sci, Zhengzhou 450007, Henan, Peoples R China

[3] Eli Lilly & Co, Delivery Devices & Connected Solut, Indianapolis, IN 46285 USA

来源：

MATERIALS | 2018年 / 11卷 / 12期

基金：

中国国家自然科学基金;

关键词：

two-dimensional electride; dicalcium nitride (Ca2N); ultralow interlayer friction; density functional theory (DFT); DICALCIUM NITRIDE; ATOMIC-SCALE; GRAPHENE;

D O I：

10.3390/ma11122462

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Dispersion-corrected density functional theory (DFT) calculations reveal that the layered electride of dicalcium nitride (Ca2N) exhibits stronger interlayer binding interactions but lower interlayer friction behavior than that of traditional layered lubricants weakly bonded by van der Waals (vdW) interactions, such as graphite, h-BN, and MoS2. These results are attributed to the two-dimensional (2D) homogeneous conduction electrons distribution in the middle of the interlayer space of Ca2N, which yields a smooth sliding barrier and hence ultralow friction behavior. The interesting results obtained in this study have not only broadened the scope of 2D solid lubricants but also enriched the physical understanding of ultralow friction mechanism for 2D systems.

引用

页数：10

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