RT Journal Article SR 00 ID 10.1016/j.solmat.2019.110022 A1 Tablero Crespo, César T1 Effect of the organic cation on the optical properties of Lead Iodine perovskites JF Solar Energy Materials and Solar Cells YR 2019 FD 2019-09 VO 200 IS 110022 SP 1 OP 5 K1 Perovskites, Optical properties, Photovoltaic, Semiconductors AB 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. NO Silicio y Nuevos Conceptos para Células Solares PB Elsevier B.V. SN 0927-0248 LK https://oa.upm.es/57086/ UL https://www.sciencedirect.com/science/article/pii/S0927024819303514