| DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafe, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 2020 | 872 | 2020 |
| Strongly bound excitons in anatase TiO2 single crystals and nanoparticles E Baldini, L Chiodo, A Dominguez, M Palummo, S Moser, M Yazdi-Rizi, ... Nature communications 8 (1), 13, 2017 | 170 | 2017 |
| Time-dependent extension of the long-range corrected density functional based tight-binding method JJ Kranz, M Elstner, B Aradi, T Frauenheim, V Lutsker, AD Garcia, ... Journal of Chemical Theory and Computation 13 (4), 1737-1747, 2017 | 91 | 2017 |
| Extensions of the time-dependent density functional based tight-binding approach A Domínguez, B Aradi, T Frauenheim, V Lutsker, TA Niehaus Journal of Chemical Theory and Computation 9 (11), 4901-4914, 2013 | 73 | 2013 |
| Nitrogen(II) Oxide Charge Transfer Complexes on TiO2: A New Source for Visible-Light Activity J Freitag, A Domínguez, TA Niehaus, A Hülsewig, R Dillert, ... The Journal of Physical Chemistry C 119 (9), 4488-4501, 2015 | 48 | 2015 |
| Phonon-Driven Selective Modulation of Exciton Oscillator Strengths in Anatase TiO2 Nanoparticles E Baldini, T Palmieri, A Dominguez, P Ruello, A Rubio, M Chergui Nano letters 18 (8), 5007-5014, 2018 | 40 | 2018 |
| On the stabilization mechanisms of organic functional groups on ZnO surfaces NH Moreira, A Domıinguez, T Frauenheim, AL da Rosa Physical Chemistry Chemical Physics 14 (44), 15445-15451, 2012 | 37 | 2012 |
| Exciton control in a room temperature bulk semiconductor with coherent strain pulses E Baldini, A Dominguez, T Palmieri, O Cannelli, A Rubio, P Ruello, ... Science advances 5 (11), eaax2937, 2019 | 36 | 2019 |
| Glycine adsorption on (1010) ZnO surfaces A Domínguez, NH Moreira, G Dolgonos, T Frauenheim, AL Da Rosa The Journal of Physical Chemistry C 115 (14), 6491-6495, 2011 | 30 | 2011 |
| Accurate hydrogen bond energies within the density functional tight binding method A Domínguez, TA Niehaus, T Frauenheim The Journal of Physical Chemistry A 119 (14), 3535-3544, 2015 | 26 | 2015 |
| van der Waals bilayer heterostructure: Tuning the excitonic characteristics C Bacaksiz, A Dominguez, A Rubio, RT Senger, H Sahin Physical Review B 95 (7), 075423, 2017 | 25 | 2017 |
| Ultrafast real-time dynamics of CO oxidation over an oxide photocatalyst M Wagstaffe, L Wenthaus, A Dominguez-Castro, S Chung, ... ACS catalysis 10 (22), 13650-13658, 2020 | 22 | 2020 |
| Giant Exciton Mott Density in Anatase E Baldini, T Palmieri, A Dominguez, A Rubio, M Chergui Physical review letters 125 (11), 116403, 2020 | 19 | 2020 |
| Excited-state band structure mapping M Puppin, CW Nicholson, C Monney, Y Deng, RP Xian, J Feldl, S Dong, ... Physical Review B 105 (7), 075417, 2022 | 18 | 2022 |
| First principles investigations on the electronic structure of anchor groups on ZnO nanowires and surfaces A Dominguez, M Lorke, AL Schoenhalz, AL Rosa, T Frauenheim, ... Journal of Applied Physics 115 (20), 2014 | 18 | 2014 |
| Photo-absorption properties of van der Waals heterostructure of monolayer InSe with silicene, germanene and antimonene A Sengupta, A Dominguez, T Frauenheim Applied Surface Science 475, 774-780, 2019 | 16 | 2019 |
| Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems Y Yang, A Dominguez, D Zhang, V Lutsker, TA Niehaus, T Frauenheim, ... The Journal of Chemical Physics 146 (12), 2017 | 16 | 2017 |
| Anomalous anisotropic exciton temperature dependence in rutile E Baldini, A Dominguez, L Chiodo, E Sheveleva, M Yazdi-Rizi, ... Physical Review B 96 (4), 041204, 2017 | 13 | 2017 |
| The role of water co-adsorption on the modification of ZnO nanowires using acetic acid A Domínguez, S grosse Holthaus, S Köppen, T Frauenheim, AL da Rosa Physical Chemistry Chemical Physics 16 (18), 8509-8514, 2014 | 11 | 2014 |
| Photoinduced Dynamics at the Interface M Wagstaffe, A Dominguez-Castro, L Wenthaus, S Palutke, D Kutnyakhov, ... Physical Review Letters 130 (10), 108001, 2023 | 6 | 2023 |
Thomas FrauenheimProfessor für Computational Materials ScienceVerified email at bccms.uni-bremen.de
