Enhanced hydrogen sensing properties of graphene by introducing a mono-atom-vacancy

Jiang, QG; Ao, ZM; Zheng, WT; Li, S; Jiang, Q

Enhanced hydrogen sensing properties of graphene by introducing a mono-atom-vacancy

Jiang, QG Ao, ZM

Zheng, WT Li, S Jiang, Q

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Publication Type:: Journal Article
Citation:: Physical Chemistry Chemical Physics, 2013, 15 (48), pp. 21016 - 21022
Issue Date:: 2013-12-28

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Field	Value	Language
dc.contributor.author	Jiang, QG	en_US
dc.contributor.author	Ao, ZM https://orcid.org/0000-0003-0333-3727	en_US
dc.contributor.author	Zheng, WT	en_US
dc.contributor.author	Li, S	en_US
dc.contributor.author	Jiang, Q	en_US
dc.date.issued	2013-12-28	en_US
dc.identifier.citation	Physical Chemistry Chemical Physics, 2013, 15 (48), pp. 21016 - 21022	en_US
dc.identifier.issn	1463-9076	en_US
dc.identifier.uri	http://hdl.handle.net/10453/27109
dc.description.abstract	To facilitate the dissociative adsorption of H2 molecules on pristine graphene, the addition of a mono-atom-vacancy to graphene is proposed. This leads to reduction of the dissociative energy barrier for a H2 molecule on graphene from 3.097 to 0.805 eV for the first H2 and 0.869 eV for the second, according to first principles calculations. As a result, two H2 molecules can be easily dissociatively adsorbed on this defected graphene at room temperature. The electronic structure and conductivity of the graphene change significantly after H2 adsorption. In addition, the related dissociative adsorption phase diagrams under different temperatures and partial pressures show that this dissociative adsorption at room temperature is very sensitive (10-35 mol L -1). Therefore, this defected graphene is promising for ultra-sensitive room temperature hydrogen sensing. © 2013 the Owner Societies.	en_US
dc.relation.ispartof	Physical Chemistry Chemical Physics	en_US
dc.relation.isbasedon	10.1039/c3cp52976b	en_US
dc.subject.classification	Chemical Physics	en_US
dc.title	Enhanced hydrogen sensing properties of graphene by introducing a mono-atom-vacancy	en_US
dc.type	Journal Article
utslib.citation.volume	48	en_US
utslib.citation.volume	15	en_US
utslib.for	0306 Physical Chemistry (incl. Structural)	en_US
utslib.for	02 Physical Sciences	en_US
utslib.for	03 Chemical Sciences	en_US
utslib.for	09 Engineering	en_US
pubs.embargo.period	Not known	en_US
pubs.organisational-group	/University of Technology Sydney
pubs.organisational-group	/University of Technology Sydney/Faculty of Science
pubs.organisational-group	/University of Technology Sydney/Faculty of Science/School of Mathematical and Physical Sciences
pubs.organisational-group	/University of Technology Sydney/Strength - CCET - Centre for Clean Energy Technology
utslib.copyright.status	open_access
pubs.issue	48	en_US
pubs.publication-status	Published	en_US
pubs.volume	15	en_US

Abstract:

To facilitate the dissociative adsorption of H2 molecules on pristine graphene, the addition of a mono-atom-vacancy to graphene is proposed. This leads to reduction of the dissociative energy barrier for a H2 molecule on graphene from 3.097 to 0.805 eV for the first H2 and 0.869 eV for the second, according to first principles calculations. As a result, two H2 molecules can be easily dissociatively adsorbed on this defected graphene at room temperature. The electronic structure and conductivity of the graphene change significantly after H2 adsorption. In addition, the related dissociative adsorption phase diagrams under different temperatures and partial pressures show that this dissociative adsorption at room temperature is very sensitive (10-35 mol L -1). Therefore, this defected graphene is promising for ultra-sensitive room temperature hydrogen sensing. © 2013 the Owner Societies.

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http://hdl.handle.net/10453/27109