Issue 79, 2014

Electronic structure and optical properties of Ag-doped SnO2 nanoribbons

Abstract

Structural, electronic and optical properties have been calculated for Tin dioxide nanoribbons (SnO2 NRs) with both zigzag and armchair shaped edges by first principle spin polarized total energy calculation. We find that both zigzag and armchair SnO2NR have indirect band gaps. The band gap oscillates between the maximum of 3.38 eV and the minimum of 1.69 eV and eventually levels off to a value of 2.09 eV for armchair nanoribbons, while for zigzag nanoribbons, the band gap oscillates between the maximum of 2.25 eV and the minimum of 2.04 eV and eventually levels off to 2.18 eV. Our investigation further reveals that the optical absorption capacity enhanced with increasing ribbon width for both Z-SnO2NRs and A-SnO2NRs. More interestingly, when introducing Ag impurities, the optical absorption edge shifts to the low energy region. These findings can be a useful tool for the design of a new generation of materials with improved solar radiation absorption.

Graphical abstract: Electronic structure and optical properties of Ag-doped SnO2 nanoribbons

Article information

Article type
Paper
Submitted
07 Jun 2014
Accepted
28 Aug 2014
First published
28 Aug 2014

RSC Adv., 2014,4, 41819-41824

Author version available

Electronic structure and optical properties of Ag-doped SnO2 nanoribbons

B. Huang, F. Li, C. Zhang, P. Li and P. Wang, RSC Adv., 2014, 4, 41819 DOI: 10.1039/C4RA05428H

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