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 (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)

Data:	2017
Resum:	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.
Ajuts:	Ministerio de Economía y Competitividad SEV-2013-0295 Ministerio de Economía y Competitividad FIS2015-67767-P European Commission 604391
Drets:	Tots els drets reservats.
Llengua:	Anglès
Document:	Article ; recerca ; Versió acceptada per publicar
Matèria:	Charge transport ; First-principles calculations ; Grain boundaries ; Hydrogenation ; Impurity states ; Kubo transport ; Polycrystalline graphene
Publicat a:	2D Materials, Vol. 4, Núm. 2 (June 2017) , article 25009, ISSN 2053-1583

DOI: 10.1088/2053-1583/aa59de

Post-Print 17 p, 3.3 MB

El registre apareix a les col·leccions:
Documents de recerca > Documents dels grups de recerca de la UAB > Centres i grups de recerca (producció científica) > Ciències > Institut Català de Nanociència i Nanotecnologia (ICN2)
Articles > Articles de recerca
Articles > Articles publicats