Publicacions en col·laboració amb investigadors/es de University of Bordeaux (8)

2018

  1. Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead

    Journal of Physical Chemistry Letters, Vol. 9, Núm. 20, pp. 6149-6163

  2. Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes

    ACS Applied Materials and Interfaces, Vol. 10, Núm. 39, pp. 33360-33372

  3. N-doped cycloparaphenylenes: Tuning electronic properties for applications in thermally activated delayed fluorescence

    International Journal of Quantum Chemistry, Vol. 118, Núm. 12

2017

  1. Dynamic nature of excited states of donor-acceptor TADF materials for OLEDs: How theory can reveal structure-property relationships

    Journal of Materials Chemistry C, Vol. 5, Núm. 23, pp. 5718-5729

  2. Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence

    Physical Review Materials, Vol. 1, Núm. 7

2015

  1. Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of n-Type Organic Semiconductors?

    Journal of Physical Chemistry C, Vol. 119, Núm. 33, pp. 18945-18955

  2. Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 7, pp. 3383-3392

  3. Theoretical rationalization of the singlet-triplet gap in oleds materials: Impact of charge-transfer character

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 1, pp. 168-177