eprintid: 57086 rev_number: 18 eprint_status: archive userid: 3598 dir: disk0/00/05/70/86 datestamp: 2019-10-28 06:50:37 lastmod: 2022-11-23 11:34:20 status_changed: 2022-11-23 11:34:20 type: article metadata_visibility: show creators_name: Tablero Crespo, César creators_id: ctablero@etsit.upm.es title: Effect of the organic cation on the optical properties of Lead Iodine perovskites publisher: Elsevier B.V. rights: none ispublished: pub subjects: renovables full_text_status: public keywords: Perovskites, Optical properties, Photovoltaic, Semiconductors note: Silicio y Nuevos Conceptos para Células Solares abstract: The effect of 14 organic cations on the optical properties of the lead iodine perovskite is analyzed. The electronic and optical properties are obtained using first principles. The absorption coefficients are split into inter-atomic species components in order to quantify all of the contributions. For energies close to the bandgaps, the main contribution is from the Pb–Pb intra-species transitions. For higher energy this contribution is still important in addition to I–I and Pb–I contributions, and to the 3 and 4 species term. Almost all absorption properties are qualitatively similar. Furthermore, this absorption coefficient splitting also allows the optical characteristics that the substitution of Pb by another element should satisfy to be identified in order to reduce the toxicity because of Pb while maintaining a high absorption capacity. date_type: published date: 2019-09 publication: Solar Energy Materials and Solar Cells volume: 200 number: 110022 pagerange: 1-5 id_number: 10.1016/j.solmat.2019.110022 institution: Ies department: Electronica3 refereed: TRUE issn: 0927-0248 official_url: https://www.sciencedirect.com/science/article/pii/S0927024819303514 comprojects_type: MINECO comprojects_type: H2020 comprojects_code: TEC2015-64189-C3-1-R comprojects_code: 787289 comprojects_acronym: INVENTA-PV comprojects_acronym: GRECO citation: Tablero Crespo, César (2019). Effect of the organic cation on the optical properties of Lead Iodine perovskites. "Solar Energy Materials and Solar Cells", v. 200 (n. 110022); pp. 1-5. ISSN 0927-0248. https://doi.org/10.1016/j.solmat.2019.110022 . document_url: https://oa.upm.es/57086/1/Revised-SOLMAT-CATIONES.pdf