Publicacións en colaboración con investigadores/as de Czech Technical University in Prague (8)

2024

  1. High throughput selection of organic cathode materials

    Journal of Computational Chemistry, Vol. 45, Núm. 5, pp. 264-273

2023

  1. Computational selection of singlet fission colorants

    Computational and Theoretical Chemistry, Vol. 1229

  2. Singlet Fission Driven by Excited-State Intramolecular Proton Transfer (ESIPT+SF): A (TD)DFT Study

    ChemPhotoChem, Vol. 7, Núm. 7

2022

  1. Effect of oligothiophene spacer length on photogenerated charge transfer from perylene diimide to boron-doped diamond electrodes

    Solar Energy Materials and Solar Cells, Vol. 248

2021

  1. A new protocol for the identification of singlet fission sensitizers through computational screening

    Journal of Computational Chemistry, Vol. 42, Núm. 31, pp. 2241-2249

  2. Revisiting the electronic nature of nanodiamonds

    Diamond and Related Materials, Vol. 120

2020

  1. Ab initio description of nanodiamonds: A DFT and TDDFT benchmark

    Diamond and Related Materials, Vol. 108

  2. Photogenerated charge collection on diamond electrodes with covalently linked chromophore monolayers

    Electrochimica Acta, Vol. 337