uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Electron transport in NH3/NO2 sensed buckled antimonene
ABV Indian Inst Informat Technol & Management, CNT Lab, Adv Mat Res Grp, Gwalior 474015, MP, India..
ABV Indian Inst Informat Technol & Management, CNT Lab, Adv Mat Res Grp, Gwalior 474015, MP, India..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0003-1231-9994
2018 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 272, p. 1-7Article in journal (Refereed) Published
Abstract [en]

The structural and electronic properties of buckled antimonene have been analysed using density functional theory based ab-initio approach. Geometrical parameters in terms of bond length and bond angle are found close to the single ruffle mono-layer of rhombohedral antimony. Inter-frontier orbital analyses suggest localization of lone pair electrons at each atomic centre. Phonon dispersion along with high symmetry point of Brillouin zone does not signify any soft mode. With an electronic band gap of 1.8eV, the quasi-2D nano-surface has been further explored for NH3/NO2 molecules sensing and qualities of interaction between NH3/NO2 gas and antimonene scrutinized in terms of electronic charges transfer. A current-voltage characteristic has also been analysed, using Non Equilibrium Green's function (NEGF), for antimonene, in presence of incoming NH3/NO2 molecules.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 2018. Vol. 272, p. 1-7
Keywords [en]
Antimonene, Sensor, DFT, Adsorption energy, Bandstructure, Transmission spectra
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-350486DOI: 10.1016/j.ssc.2018.01.006ISI: 000425845300001OAI: oai:DiVA.org:uu-350486DiVA, id: diva2:1206486
Available from: 2018-05-17 Created: 2018-05-17 Last updated: 2018-05-17Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full text

Authority records BETA

Ahuja, Rajeev

Search in DiVA

By author/editor
Ahuja, Rajeev
By organisation
Materials Theory
In the same journal
Solid State Communications
Condensed Matter Physics

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 24 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf