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超润滑石墨炔

Superlubric Graphullerene.

作者信息

Ying Penghua, Hod Oded, Urbakh Michael

机构信息

Department of Physical Chemistry, School of Chemistry, The Raymond and Beverly Sackler Faculty of Exact Sciences, and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

出版信息

Nano Lett. 2024 Aug 28;24(34):10599-10604. doi: 10.1021/acs.nanolett.4c02794. Epub 2024 Aug 19.

Abstract

Graphullerene (GF), an extended quasi-two-dimensional network of C molecules, is proposed as a multicontact platform for constructing superlubric interfaces with layered materials. Such interfaces are predicted to present very small and comparable sliding energy corrugation regardless of the identity of the underlying flat layered material surface. It is shown that, beyond the geometrical effect, covalent interlinking between the C molecules results in reduction of the sliding energy barrier. For extended GF supercells, negligible sliding energy barriers are found along all sliding directions considered, even when compared to the case of the robust superlubric graphene/h-BN heterojunction. This suggests that multicontact architectures can be used to design ultrasuperlubric interfaces, where superlubricity may persist under extreme sliding conditions.

摘要

石墨炔(GF)是一种由C分子构成的扩展准二维网络,被提议作为与层状材料构建超润滑界面的多接触平台。预计此类界面无论底层平坦层状材料表面的特性如何,都将呈现非常小且相当的滑动能量起伏。结果表明,除了几何效应外,C分子之间的共价交联会导致滑动能垒降低。对于扩展的GF超胞,在所考虑的所有滑动方向上都发现了可忽略不计的滑动能垒,即使与坚固的超润滑石墨烯/ h - BN异质结的情况相比也是如此。这表明多接触结构可用于设计超超润滑界面,在极端滑动条件下超润滑性可能依然存在。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1392/11363119/ffd9376fe51c/nl4c02794_0001.jpg

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