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• W2316446986 abstract "The phase diagram of $para$-H${}_{2}$ on both one-layer and bilayer graphene was calculated by means of the diffusion Monte Carlo method. The zero-point energy of the carbon atoms in the substrate was taken into account. That inclusion had minor effects on the liquidlike or incommensurate branches of the phase diagram, but it raised appreciably the energy per hydrogen molecule of the $sqrt{3}ifmmodetimeselsetexttimesfi{}sqrt{3}$ commensurate solid with respect to the case of a perfectly flat substrate. That meant that the ground state of $para$-H${}_{2}$ on bilayer graphene was a $sqrt{3}ifmmodetimeselsetexttimesfi{}sqrt{3}$ registered structure, but on a single graphene layer, both this arrangement and a triangular incommensurate phase of density $0.077ifmmodepmelsetextpmfi{}0.001$ AA{}${}^{ensuremath{-}2}$ were found to be in equilibrium at $T=0$ K." @default.
• W2316446986 created "2016-06-24" @default.
• W2316446986 creator A5059203456 @default.
• W2316446986 date "2013-07-19" @default.
• W2316446986 modified "2023-10-02" @default.
• W2316446986 title "H<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub></mml:math>on corrugated graphene: Diffusion Monte Carlo calculations" @default.
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• W2316446986 doi "https://doi.org/10.1103/physrevb.88.041406" @default.
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