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Grain boundary-induced variability of charge transport in hydrogenated polycrystalline graphene
Barrios-Vargas, José Eduardo (Institut Català de Nanociència i Nanotecnologia)
Falkenberg, Jesper Toft (Technical University of Denmark. Department of Micro- and Nanotechnology)
Soriano, David (Institut Català de Nanociència i Nanotecnologia)
Cummings, Aron W. (Institut Català de Nanociència i Nanotecnologia)
Brandbyge, Mads (Technical University of Denmark. Department of Micro- and Nanotechnology)
Roche, Stephan (Institut Català de Nanociència i Nanotecnologia)

Date: 2017
Abstract: Chemical functionalization has proven to be a promising means of tailoring the unique properties of graphene. For example, hydrogenation can yield a variety of interesting effects, including a metal-insulator transition or the formation of localized magnetic moments. Meanwhile, graphene grown by chemical vapor deposition is the most suitable for large-scale production, but the resulting material tends to be polycrystalline. Up to now there has been relatively little focus on how chemical functionalization, and hydrogenation in particular, impacts the properties of polycrystalline graphene. In this work, we use numerical simulations to study the electrical properties of hydrogenated polycrystalline graphene. We find a strong correlation between the spatial distribution of the hydrogen adsorbates and the charge transport properties. Charge transport is weakly sensitive to hydrogenation when adsorbates are confined to the grain boundaries, while a uniform distribution of hydrogen degrades the electronic mobility. This difference stems from the formation of the hydrogen-induced resonant impurity states, which are inhibited when the honeycomb symmetry is locally broken by the grain boundaries. These findings suggest a tunability of electrical transport of polycrystalline graphene through selective hydrogen functionalization, and also have implications for hydrogen-induced magnetization and spin lifetime of this material.
Note: Número d'acord de subvenció MINECO/SEV-2013-0295
Note: Número d'acord de subvenció MINECO/FIS2015-67767-P
Note: Número d'acord de subvenció EC/FP7/604391
Rights: Tots els drets reservats.
Language: Anglès.
Document: article ; recerca ; acceptedVersion
Subject: Charge transport ; First-principles calculations ; Grain boundaries ; Hydrogenation ; Impurity states ; Kubo transport ; Polycrystalline graphene
Published in: 2D Materials, Vol. 4, Núm. 2 (June 2017) , article 25009, ISSN 2053-1583

DOI: 10.1088/2053-1583/aa59de


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The record appears in these collections:
Research literature > UAB research groups literature > Research Centres and Groups (scientific output) > Experimental sciences > Catalan Institute of Nanoscience and Nanotechnology (ICN2)
Articles > Research articles
Articles > Published articles

 Record created 2018-07-25, last modified 2019-03-29



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