Change search
ReferencesLink to record
Permanent link

Direct link
Substitution induced band structure shape tuning in hybrid perovskites (CH3NH3Pb1-xSnxI3) for efficient solar cell applications
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, Sweden.
Show others and affiliations
2015 (English)In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 5, no 130, 107497-107502 p.Article in journal (Refereed) PublishedText
Abstract [en]

Organic-inorganic hybrid perovskite compounds such as CH3NH3PbI3 hold a great potential for low cost photovoltaic devices. Though CH3NH3PbI3 possesses fundamental properties favorable for solar energy harvesting, environmentally safe materials with higher energy efficiency are needed for practical applications. Replacement of lead by tin is a promising solution and investigating the fundamental properties of lead and tin mixed halides is essential. In this article, we have reported electronic and optical properties by employing Density Functional Theory based first principles calculations of Sn doped methyl ammonium lead halide, CH3NH3Pb1-xSnxI3 (x = 0, 0.25, 0.5, 0.75, 1.0). Our results reveal that tin doping narrows the optical band gap allowing absorption of visible light up to 850 nm. Tin doping at Pb sites primarily affects the composition and nature of the valence band maximum. Tin 5p induced electronic states are highly delocalized in nature and are likely to improve the mobility and possible exciton diffusion lengths of holes. Based on the results of this study, 50% Sn doping could to be useful for enhanced performance of perovskite based photovoltaics.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2015. Vol. 5, no 130, 107497-107502 p.
National Category
Chemical Sciences
URN: urn:nbn:se:kth:diva-181012DOI: 10.1039/c5ra19778cISI: 000367271700037ScopusID: 2-s2.0-84952306015OAI: diva2:897773

QC 20160126

Available from: 2016-01-26 Created: 2016-01-26 Last updated: 2016-02-08Bibliographically 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
RSC Advances
Chemical Sciences

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: 24 hits
ReferencesLink to record
Permanent link

Direct link