Electronic Structure and Chemical Bonding in Methylammonium Lead Triiodide and Its Precursor Methylammonium Iodide

[Image: see text] A detailed examination of the electronic structures of methylammonium lead triiodide (MAPI) and methylammonium iodide (MAI) is performed with ab initio molecular dynamics (AIMD) simulations based on density functional theory, and the theoretical results are compared to experimental...

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Detalles Bibliográficos
Autores principales: Sterling, Cody M., Kamal, Chinnathambi, García-Fernández, Alberto, Man, Gabriel J., Svanström, Sebastian, Nayak, Pabitra K., Butorin, Sergei M., Rensmo, Håkan, Cappel, Ute B., Odelius, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9720748/
https://www.ncbi.nlm.nih.gov/pubmed/36483685
http://dx.doi.org/10.1021/acs.jpcc.2c06782

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9720748/
https://www.ncbi.nlm.nih.gov/pubmed/36483685
http://dx.doi.org/10.1021/acs.jpcc.2c06782

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