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Challenges of modeling nanostructured materials for photocatalytic water splitting.
Samanta B, Morales-García Á, Illas F, Goga N, Anta JA, Calero S, Bieberle-Hütter A, Libisch F, Muñoz-García AB, Pavone M, Caspary Toroker M. Samanta B, et al. Among authors: anta ja. Chem Soc Rev. 2022 May 10;51(9):3794-3818. doi: 10.1039/d1cs00648g. Chem Soc Rev. 2022. PMID: 35439803 Review.
Highly Anisotropic Organometal Halide Perovskite Nanowalls Grown by Glancing-Angle Deposition.
Castillo-Seoane J, Contreras-Bernal L, Obrero-Perez JM, García-Casas X, Lorenzo-Lázaro F, Aparicio FJ, Lopez-Santos C, Rojas TC, Anta JA, Borrás A, Barranco Á, Sanchez-Valencia JR. Castillo-Seoane J, et al. Among authors: anta ja. Adv Mater. 2022 May;34(18):e2107739. doi: 10.1002/adma.202107739. Epub 2022 Mar 14. Adv Mater. 2022. PMID: 35077604
Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principles.
Seijas-Bellido JA, Samanta B, Valadez-Villalobos K, Gallardo JJ, Navas J, Balestra SRG, Madero Castro RM, Vicent-Luna JM, Tao S, Toroker MC, Anta JA. Seijas-Bellido JA, et al. Among authors: anta ja. J Chem Inf Model. 2022 Dec 26;62(24):6423-6435. doi: 10.1021/acs.jcim.1c01506. Epub 2022 May 16. J Chem Inf Model. 2022. PMID: 35576452 Free PMC article.
Understanding the Interfaces between Triple-Cation Perovskite and Electron or Hole Transporting Material.
Pydzińska-Białek K, Drushliak V, Coy E, Załȩski K, Flach J, Idígoras J, Contreras-Bernal L, Hagfeldt A, Anta JA, Ziółek M. Pydzińska-Białek K, et al. Among authors: anta ja. ACS Appl Mater Interfaces. 2020 Jul 8;12(27):30399-30410. doi: 10.1021/acsami.0c07095. Epub 2020 Jun 24. ACS Appl Mater Interfaces. 2020. PMID: 32515941 Free PMC article.