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Bandgap Tuning of Silver Bismuth Iodide via Controllable Bromide Substitution for Improved Photovoltaic Performance
Stockholm University, Faculty of Science, Department of Physics.
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Number of Authors: 92019 (English)In: ACS Applied Energy Materials, E-ISSN 2574-0962, Vol. 2, no 8, p. 5356-5362Article in journal (Refereed) Published
Abstract [en]

In this work, silver-bismuth-halide thin films, exhibiting low toxicity and good stability, were explored systemically by gradually substituting iodide, I, with bromide, Br, in the AgBi2I7 system. It was found that the optical bandgap can be tuned by varying the I/Br ratio. Moreover, the film quality was improved when introducing a small amount of Br. The solar cell was demonstrated to be more stable at ambient conditions and most efficient when incorporating 10% Br, as a result of decreased recombination originating from the increased grain size. Thus, replacing a small amount of I with Br was beneficial for photovoltaic performance.

Place, publisher, year, edition, pages
2019. Vol. 2, no 8, p. 5356-5362
Keywords [en]
lead-free solar cells, power conversion efficiency, bandgap, silver bismuth iodide, mixed-halide composition, grain size, density functional theory
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:su:diva-173184DOI: 10.1021/acsaem.9b00914ISI: 000483434700003Scopus ID: 2-s2.0-85071733011OAI: oai:DiVA.org:su-173184DiVA, id: diva2:1351976
Available from: 2019-09-17 Created: 2019-09-17 Last updated: 2022-11-02Bibliographically approved
In thesis
1. In pursuit of next generation photovoltaics: An electronic structure study of emerging solar cell materials
Open this publication in new window or tab >>In pursuit of next generation photovoltaics: An electronic structure study of emerging solar cell materials
2022 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The development of a new generation of photovoltaic technologies is an important task in order to increase the production of clean energy. Perovskite solar cells, with an exceptionally rapid development over the last decade, have transformed into perhaps the most promising candidate to provide a low-cost alternative to conventional cells. While having excellent efficiency, the most successful category of photovoltaic perovskites, the class of hybrid lead-halide perovskites, suffers from poor stability in ambient conditions and gives rise to potential health concerns due to lead toxicity. Because of these issues, studies yielding a better understanding of lead-based perovskites and investigations of new, lead-free materials are likely meaningful steps towards better and more competitive solar cells. This thesis contains studies about established lead-based perovskites, CH3NH3PbI3 and CH(NH2)2PbI3, as well as the lead-free alternatives AgBi2I7 and Cs2AgBiI6. The main method employed is electronic structure calculations through density functional theory under periodic boundary conditions including band structure calculations and projected density of states. A particular focus is given to systems with mixed anion and related effects on the electronic structure.

Place, publisher, year, edition, pages
Stockholm: Department of Physics, Stockholm University, 2022. p. 74
Keywords
Solar cells, computational physics, density functional theory, electronic structure, molecular dynamics, Solceller, beräkningsfysik, täthetsfunktionalteori, elektronstruktur, molekyldynamik
National Category
Atom and Molecular Physics and Optics
Research subject
Theoretical Physics
Identifiers
urn:nbn:se:su:diva-202839 (URN)978-91-7911-818-1 (ISBN)978-91-7911-819-8 (ISBN)
Public defence
2022-04-29, room FB42, AlbaNova universitetscentrum, Roslagstullsbacken 21, Stockholm, 10:00 (Swedish)
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Available from: 2022-04-06 Created: 2022-03-15 Last updated: 2022-03-25Bibliographically approved

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Erbing, AxelOdelius, Michael

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