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
909 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
175 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
94 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 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
37 2019 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 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 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
23 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
19 2022 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 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
17 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
17 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 M Wagstaffe, A Dominguez-Castro, L Wenthaus, S Palutke, D Kutnyakhov, ...
Physical Review Letters 130 (10), 108001, 2023
7 2023 
Thomas FrauenheimProfessor für Computational Materials ScienceE-mail confirmado em bccms.uni-bremen.de