Publikationen in Zusammenarbeit mit Forschern von 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