Digitala Vetenskapliga Arkivet

Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • 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
Chemical Bonding in the α and δ Phases of FAPbI3
Stockholm University, Faculty of Science, Department of Physics.ORCID iD: 0000-0001-9518-9405
Stockholm University, Faculty of Science, Department of Physics.
Show others and affiliations
(English)Manuscript (preprint) (Other academic)
National Category
Atom and Molecular Physics and Optics
Research subject
Chemical Physics
Identifiers
URN: urn:nbn:se:su:diva-211924OAI: oai:DiVA.org:su-211924DiVA, id: diva2:1714307
Available from: 2022-11-29 Created: 2022-11-29 Last updated: 2022-11-29
In thesis
1. Modeling hybrid halide perovskites for solar cell applications: Simulations of electronic structure and X-ray spectroscopy
Open this publication in new window or tab >>Modeling hybrid halide perovskites for solar cell applications: Simulations of electronic structure and X-ray spectroscopy
2022 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Over the past 13 years, perovskites have become a very promising candidate in the search for cheap and effective photovoltaic materials for solar cells.  Perovskite solar cell power conversion efficiency has increased from 3.8% in 2009 to over 25% by late 2022, rivaling that of crystalline silicon cells, and there are a variety of potential chemical compositions that provide a range of materials to investigate.  However, there are still questions about the specific role of all the different chemical components in the material and how they influence its efficiency.  This thesis aims to investigate the effect of material composition and structure through electronic structure calculations and theoretical X-ray absorption and X-ray photoelectron spectroscopy, with comparison to experimental spectra.  Herein, studies on the prototypical hybrid halide perovskite methylammonium lead triiodide (CH3NH3PbI3) are presented and compared among materials with various differences: structural/elemental changes in the case of its precursor methylammonium iodide (CH3NH3I), halide substitution in the case of methylammonium lead tribromide (CH3NH3PbBr3), or organic cation substitution in the case of formamidinium lead triiodide (CH(NH2)2PbI3).

Place, publisher, year, edition, pages
Stockholm: Department of Physics, Stockholm University, 2022. p. 54
Keywords
Solar cells, perovskites, computational chemistry, simulations, electronic structure, density functional theory, X-ray spectroscopy
National Category
Atom and Molecular Physics and Optics
Research subject
Chemical Physics
Identifiers
urn:nbn:se:su:diva-211949 (URN)978-91-8014-114-7 (ISBN)978-91-8014-115-4 (ISBN)
Public defence
2023-01-13, Lärosal 14, Albano Hus 2, Albanovägen 18, Stockholm, 10:00 (English)
Opponent
Supervisors
Funder
Swedish Energy Agency, 2017-006797
Available from: 2022-12-20 Created: 2022-11-29 Last updated: 2022-12-12Bibliographically approved

Open Access in DiVA

No full text in DiVA

Search in DiVA

By author/editor
Sterling, Cody M.Erbing, AxelKamal, ChinnathambiOdelius, Michael
By organisation
Department of Physics
Atom and Molecular Physics and Optics

Search outside of DiVA

GoogleGoogle Scholar

urn-nbn

Altmetric score

urn-nbn
Total: 91 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • 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