Diamondization of chemically functionalized graphene and graphene-BN bilayers

Physical Chemistry Chemical Physics : PCCP
Long YuanJian Guo Hou

Abstract

In this article, based on first-principles calculations, we systematically study functionalization induced diamondization of graphene bilayer and graphene-BN hybrid bilayer. With single-side functionalization, the diamondized structures are magnetic semiconductors. Interestingly, if both sides of the bilayer are functionalized, diamondization becomes spontaneous without a barrier. On the other hand, when the bottom layer of the bilayer graphene is replaced by a single hexagonal BN layer, the diamondized structure becomes a nonmagnetic metal. The tunable electronic and magnetic properties pave new avenues to construct graphene-based electronics and spintronics devices.

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Citations

Sep 6, 2012·Accounts of Chemical Research·Geraldine L C PaulusMichael S Strano
Mar 15, 2013·Physical Chemistry Chemical Physics : PCCP·Wei HuJinlong Yang
Aug 7, 2013·Nanoscale·Wei HuJinlong Yang
Mar 7, 2014·Physical Chemistry Chemical Physics : PCCP·Wei HuJinlong Yang
Oct 29, 2013·The Journal of Chemical Physics·Wei HuJinlong Yang
Apr 6, 2013·The Journal of Chemical Physics·Wei HuJinlong Yang
Oct 27, 2016·Angewandte Chemie·Ricarda A SchäferAndreas Hirsch
Apr 4, 2018·Physical Chemistry Chemical Physics : PCCP·Naresh AlaalAlok Shukla
Jan 24, 2017·Nanotechnology·Dmitry G KvashninAlexander G Kvashnin
Feb 7, 2020·Chemistry : a European Journal·Antonios KouloumpisMichal Otyepka
Nov 23, 2012·Physical Chemistry Chemical Physics : PCCP·Long YuanJinlong Yang
Sep 14, 2013·Journal of Materials Chemistry. B, Materials for Biology and Medicine·Darkeyah G ReuvenXiao-Qian Wang
Jun 24, 2021·Physical Chemistry Chemical Physics : PCCP·Liangbing GeYalin Lu
Jul 3, 2021·Nano Letters·Pavel B Sorokin, Boris I Yakobson
Jan 21, 2014·Nano Letters·Alexander G KvashninPavel B Sorokin
Apr 5, 2019·ACS Nano·Shiva BhandariYoke Khin Yap

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