From tilt-grained graphene to diamene: Exploring phase transformation and stability under extreme shear stress

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, COATINGS & FILMS

Diamond and Related Materials Pub Date : 2025-04-16 DOI:10.1016/j.diamond.2025.112344

Nuruzzaman Sakib , Md Rashidul Alam , Sara Neshani , Kasra Momeni

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Abstract

We investigated the effects of grain boundary (GB) misorientation angles and interlayer configurations of GB on the shear-assisted phase transformation of multilayer graphene into diamene, where we performed a comprehensive study of systems up to nine layers (9 L) of graphene across a range of temperatures up to 1500 K. We revealed that external shear facilitated the formation of orthorhombic graphite, which then transformed into the few-layer diamond structure. External shear was beneficial in transforming the phase until the interlayer distance between the layers reached 60 % of the interlayer reduction that occurs in a graphene-to-cubit diamond. The impact of different GB misorientation angles on transformation stress and strain was more significant in Coincident Layer Stacking (CLS) than Offset Layer Stacking (OLS). Higher misorientation angles increased the defect density, serving as nucleation sites but reducing the stable diamond fraction post-decompression. External shear is beneficial for initiating diamond formation from graphene, particularly when a higher number of layers is paired with CLS GBs.

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从斜晶石墨烯到二烯：探索极端剪切应力下的相变和稳定性

我们研究了晶界（GB）错取向角和晶界层间结构对多层石墨烯剪切辅助相变成金刚石的影响，并在高达1500 K的温度范围内对多达9层（9 L）石墨烯的体系进行了全面研究。我们发现，外部剪切促进了正交石墨的形成，然后转变为少层金刚石结构。外部剪切有利于相变，直到层间距离达到石墨烯-立方金刚石层间减少量的60%。在重合层叠加（CLS）中，不同取向角对相变应力和应变的影响比偏移层叠加（OLS）更显著。较大的错取向角增加了缺陷密度，成为成核位点，但降低了减压后的稳定金刚石分数。外部剪切有利于石墨烯形成金刚石，特别是当更多层与CLS gb配对时。

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来源期刊

Diamond and Related Materials 工程技术-材料科学：综合

CiteScore

6.00

自引率

14.60%

发文量

702

审稿时长

2.1 months

期刊介绍： DRM is a leading international journal that publishes new fundamental and applied research on all forms of diamond, the integration of diamond with other advanced materials and development of technologies exploiting diamond. The synthesis, characterization and processing of single crystal diamond, polycrystalline films, nanodiamond powders and heterostructures with other advanced materials are encouraged topics for technical and review articles. In addition to diamond, the journal publishes manuscripts on the synthesis, characterization and application of other related materials including diamond-like carbons, carbon nanotubes, graphene, and boron and carbon nitrides. Articles are sought on the chemical functionalization of diamond and related materials as well as their use in electrochemistry, energy storage and conversion, chemical and biological sensing, imaging, thermal management, photonic and quantum applications, electron emission and electronic devices. The International Conference on Diamond and Carbon Materials has evolved into the largest and most well attended forum in the field of diamond, providing a forum to showcase the latest results in the science and technology of diamond and other carbon materials such as carbon nanotubes, graphene, and diamond-like carbon. Run annually in association with Diamond and Related Materials the conference provides junior and established researchers the opportunity to exchange the latest results ranging from fundamental physical and chemical concepts to applied research focusing on the next generation carbon-based devices.