Cyanographone and isocyanographone - Two asymmetrically functionalized graphene pseudohalides and their potential use in chemical sensing

The Journal of Chemical Physics
Lukas Eugen Marsoner SteinkassererBeate Paulus

Abstract

Graphene pseudohalides are natural candidates for use in molecular sensing due to their greater chemical activity as compared to both graphene halides and pristine graphene. Though their study is still in its infancy, being hindered until recently by the unavailability of both selective and efficient procedures for their synthesis, they promise to considerably widen the application potential of chemically modified graphenes. Herein, we employ van der Waals density functional theory to study the structural and electronic properties of two selected graphene pseudohalides, namely, cyanographone and isocyanographone and investigate the potential use of the latter as a chemical sensor via electron transport calculations.

References

Mar 1, 1995·Physical Review. a·O GritsenkoE J Baerends
Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Mar 29, 2000·Journal of Molecular Graphics & Modelling·A Kokalj
Oct 23, 2004·Science·K S NovoselovA A Firsov
Mar 3, 2007·Nature Materials·A K Geim, K S Novoselov
Jul 31, 2007·Nature Materials·F SchedinK S Novoselov
Dec 19, 2007·Nano Letters·T O WehlingA I Lichtenstein
Mar 26, 2008·The Journal of Chemical Physics·M StrangeK W Jacobsen
Sep 4, 2008·Nano Letters·Jeremy T RobinsonPaul E Sheehan
Oct 2, 2009·Physical Review Letters·Guillermo Román-Pérez, José M Soler
Aug 12, 2010·Nano Letters·Jeremy T RobinsonEric S Snow
Nov 6, 2010·Small·Rahul R NairAndre K Geim
Mar 12, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·J EnkovaaraK W Jacobsen
Sep 6, 2012·Accounts of Chemical Research·Geraldine L C PaulusMichael S Strano
Oct 4, 2012·Accounts of Chemical Research·James E Johns, Mark C Hersam
Feb 14, 2013·Chemical Society Reviews·Chun Kiang Chua, Martin Pumera
Jul 3, 2013·ACS Nano·František KarlickýRadek Zbořil
Sep 13, 2013·Advanced Materials·Kangho LeeGeorg S Duesberg
Jan 25, 2014·Scientific Reports·Sekhar C RayJ A McLaughlin
Jun 26, 2014·Angewandte Chemie·Siegfried Eigler, Andreas Hirsch
Aug 16, 2014·Journal of the American Chemical Society·Lei LiaoZhongfan Liu
May 7, 2015·ACS Nano·Ahmad N AbbasChongwu Zhou
Aug 6, 2015·Angewandte Chemie·Alejandro CriadoMaurizio Prato
Aug 19, 2015·The Journal of Physical Chemistry Letters·Liangzhi KouChangfeng Chen
Sep 2, 2015·Physical Chemistry Chemical Physics : PCCP·Martin PykalMichal Otyepka
Feb 2, 2017·Journal of Chemical Theory and Computation·František KarlickýMichal Otyepka
Feb 22, 2017·Nature Communications·Jiří TučekRadek Zbořil
Mar 23, 2017·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Ask Hjorth LarsenKarsten W Jacobsen
Dec 15, 2017·Applied Materials Today·Demetrios D ChronopoulosMichal Otyepka

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