| A computational investigation of organic dyes for dye-sensitized solar cells: benchmark, strategies, and open issues M Pastore, E Mosconi, F De Angelis, M Grätzel The Journal of Physical Chemistry C 114 (15), 7205-7212, 2010 | 400 | 2010 |
| New perspectives in multireference perturbation theory: the n-electron valence state approach C Angeli, M Pastore, R Cimiraglia Theoretical Chemistry Accounts 117, 743-754, 2007 | 305 | 2007 |
| Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells Models: An ab Initio Investigation M Pastore, F De Angelis ACS nano 4 (1), 556-562, 2010 | 299 | 2010 |
| Influence of the dye molecular structure on the TiO 2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects E Ronca, M Pastore, L Belpassi, F Tarantelli, F De Angelis Energy & Environmental Science 6 (1), 183-193, 2013 | 278 | 2013 |
| Computational modelling of TiO 2 surfaces sensitized by organic dyes with different anchoring groups: adsorption modes, electronic structure and implication for electron … M Pastore, F De Angelis Physical Chemistry Chemical Physics 14 (2), 920-928, 2012 | 212 | 2012 |
| Organic dyes incorporating low-band-gap chromophores based on π-extended benzothiadiazole for dye-sensitized solar cells DH Lee, MJ Lee, HM Song, BJ Song, KD Seo, M Pastore, C Anselmi, ... Dyes and pigments 91 (2), 192-198, 2011 | 210 | 2011 |
| Adsorption of organic dyes on TiO 2 surfaces in dye-sensitized solar cells: interplay of theory and experiment C Anselmi, E Mosconi, M Pastore, E Ronca, F De Angelis Physical Chemistry Chemical Physics 14 (46), 15963-15974, 2012 | 178 | 2012 |
| Modeling excited states and alignment of energy levels in dye-sensitized solar cells: successes, failures, and challenges M Pastore, S Fantacci, F De Angelis The Journal of Physical Chemistry C 117 (8), 3685-3700, 2013 | 164 | 2013 |
| Coumarin dyes containing low-band-gap chromophores for dye-sensitised solar cells KD Seo, HM Song, MJ Lee, M Pastore, C Anselmi, F De Angelis, ... Dyes and Pigments 90 (3), 304-310, 2011 | 161 | 2011 |
| Energy levels, charge injection, charge recombination and dye regeneration dynamics for donor–acceptor π-conjugated organic dyes in mesoscopic TiO 2 sensitized solar cells M Planells, L Pellejŕ, JN Clifford, M Pastore, F De Angelis, N López, ... Energy & Environmental Science 4 (5), 1820-1829, 2011 | 158 | 2011 |
| Joint electrical, photophysical and computational studies on D-π-A dye sensitized solar cells: the impacts of dithiophene rigidification M Xu, M Zhang, M Pastore, R Li, F De Angelis, P Wang Chemical Science 3 (4), 976-983, 2012 | 156 | 2012 |
| Ab initio determination of ground and excited state oxidation potentials of organic chromophores for dye-sensitized solar cells M Pastore, S Fantacci, F De Angelis The Journal of Physical Chemistry C 114 (51), 22742-22750, 2010 | 154 | 2010 |
| Novel carbazole-phenothiazine dyads for dye-sensitized solar cells: a combined experimental and theoretical study G Marotta, MA Reddy, SP Singh, A Islam, L Han, F De Angelis, M Pastore, ... ACS Applied Materials & Interfaces 5 (19), 9635-9647, 2013 | 113 | 2013 |
| Computational investigation of dye–iodine interactions in organic dye-sensitized solar cells M Pastore, E Mosconi, F De Angelis The Journal of Physical Chemistry C 116 (9), 5965-5973, 2012 | 104 | 2012 |
| Intermolecular interactions in dye-sensitized solar cells: a computational modeling perspective M Pastore, F De Angelis The journal of physical chemistry letters 4 (6), 956-974, 2013 | 90 | 2013 |
| NHC-based iron sensitizers for DSSCs T Duchanois, L Liu, M Pastore, A Monari, C Cebrián, Y Trolez, M Darari, ... Inorganics 6 (2), 63, 2018 | 86 | 2018 |
| Optical properties and aggregation of phenothiazine-based dye-sensitizers for solar cells applications: a combined experimental and computational investigation S Agrawal, M Pastore, G Marotta, MA Reddy, M Chandrasekharam, ... The Journal of Physical Chemistry C 117 (19), 9613-9622, 2013 | 79 | 2013 |
| Adsorption mechanisms of fatty acids on fluorite unraveled by infrared spectroscopy and first-principles calculations Y Foucaud, J Lainé, LO Filippov, O Barrčs, WJ Kim, IV Filippova, ... Journal of Colloid and Interface Science 583, 692-703, 2021 | 73 | 2021 |
| Energy-level alignment in organic dye-sensitized TiO2 from GW calculations P Umari, L Giacomazzi, F De Angelis, M Pastore, S Baroni The Journal of Chemical Physics 139 (1), 2013 | 69 | 2013 |
| First-Principles Modeling of a Dye-Sensitized TiO2/IrO2 Photoanode for Water Oxidation M Pastore, F De Angelis Journal of the American Chemical Society 137 (17), 5798-5809, 2015 | 68 | 2015 |
Filippo De AngelisUniversity of PerugiaVerified email at thch.unipg.it
