Change search
ReferencesLink to record
Permanent link

Direct link
Highly Sensitive and Selective Gas Detection Based on Silicene
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
Show others and affiliations
2015 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 119, no 29, 16934-16940 p.Article in journal (Refereed) Published
Abstract [en]

Recent advances in the fabrication of silicene devices have raised exciting prospects for practical applications such as gas sensing. We investigated the gas detection performance of silicene nanosensors for four different gases (NO, NO2, NH3, and CO) in terms of sensitivity and selectivity, employing density functional theory and nonequilibrium Greens function method. The structural configurations, adsorption sites, binding energies and charge transfer of all studied gas molecules on silicene nanosensors are systematically discussed in this work. Our results indicate that pristine silicene exhibits strong sensitivity for NO and NO2, while it appears incapable of sensing CO and NH3. In an attempt to overcome sensitivity limitations due to weak van der Waals interaction of those latter gas molecules on the device, we doped pristine silicene with either B or N atoms, leading to enhanced binding energy as well as charge transfer, and subsequently a significant improvement of sensitivity. A distinction between the four studied gases based on the silicene devices appears possible, and thus these promise to be next-generation nanosensors for highly sensitive and selective gas detection.

Place, publisher, year, edition, pages
2015. Vol. 119, no 29, 16934-16940 p.
National Category
Other Materials Engineering Physical Chemistry
URN: urn:nbn:se:kth:diva-172715DOI: 10.1021/acs.jpcc.5b03635ISI: 000358624000059ScopusID: 2-s2.0-84937825697OAI: diva2:849981
Swedish Research Council, 621-2009-3628, 621-2012-4379Swedish Energy Agency

QC 20150831

Available from: 2015-08-31 Created: 2015-08-27 Last updated: 2015-08-31Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Ahuja, Rajeev
By organisation
Applied Material Physics
In the same journal
The Journal of Physical Chemistry C
Other Materials EngineeringPhysical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 11 hits
ReferencesLink to record
Permanent link

Direct link