DFT-based study of the bulk tin mixed-halide CsSnI3-xBrx perovskite I Ornelas-Cruz, A Trejo, R Oviedo-Roa, F Salazar, E Carvajal, A Miranda, ... Computational Materials Science 178, 109619, 2020 | 27 | 2020 |
Theoretical Investigation of the Role of Mixed A+ Cations in the Structure, Stability, and Electronic Properties of Perovskite Alloys RM dos Santos, I Ornelas− Cruz, AC Dias, MP Lima, JLF Da Silva ACS Applied Energy Materials 6 (10), 5259-5273, 2023 | 11 | 2023 |
Impact of alkaline-earth doping on electronic properties of the photovoltaic perovskite CsSnI3: insights from a DFT perspective I Ornelas-Cruz, I González, J Pilo, AT Baños, R Oviedo-Roa, ... Dalton Transactions 51 (17), 6607-6621, 2022 | 8 | 2022 |
Analysis of the bonding’s energy in metal-halide perovskites and brief evaluation of meta-GGA functionals TPSS and revTPSS JJ Diaz, I Ornelas-Cruz, FJ Cano, S Velumani, S Gallardo-Hernández, ... Journal of Materials Science 59 (6), 2361-2374, 2024 | 2 | 2024 |
Influence of the composition of glass substrates on CH3NH3PbI3 films properties deposited by Spin-Coating JJ Díaz, B Montaño, FJ Cano, I Ornelas-Cruz, I Kudriavtsev, ... 2022 19th International Conference on Electrical Engineering, Computing …, 2022 | 2 | 2022 |
Cubic-to-hexagonal structural phase transition in metal halide compounds: a DFT study I Ornelas-Cruz, RM dos Santos, JE González, MP Lima, JLF Da Silva Journal of Materials Chemistry A 12 (21), 12564-12580, 2024 | | 2024 |