2020/10/25 by Sergey V. Erohin, Erohin, Sergey V., Qiyuan Ruan +5
Materials Science · #Chemical and Physical Properties of Materials #Diamond and Carbon-based Materials Research #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
paper · pdf · doi:10.48550/arxiv.2010.13202
openalex publication_date 2020/10/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Nearly two-dimensional diamond, or diamane, is coveted as ultrathin\nsp3-carbon film with unique mechanics and electro-optics. The very thinness\n(~h) makes it possible for the surface chemistry, e.g. adsorbed atoms, to\nshift the bulk phase thermodynamics in favor of diamond, from multilayer\ngraphene. Thermodynamic theory coupled with atomistic first principles\ncomputations predicts not only the reduction of required pressure\n(p/p\∞>1-h0/h), but also the nucleation barriers, definitive for the\nkinetic feasibility of diamane formation. Moreover, the optimal adsorbent\nchair-pattern on a bilayer graphene results in a cubic diamond lattice, while\nfor thicker precursors the adsorbent boat-structure tends to produce hexagonal\ndiamond (lonsdaleite), if graphene was in AA` stacking to start with. As\nadsorbents, H and F are conducive to diamond formation, while Cl appears\nsterically hindered.\n