Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ...
Journal of physics: Condensed matter 29 (46), 465901, 2017
8128 2017 Visualizing the spin of individual cobalt-phthalocyanine molecules C Iacovita, MV Rastei, BW Heinrich, T Brumme, J Kortus, L Limot, ...
Physical review letters 101 (11), 116602, 2008
321 2008 Twist-angle-dependent interlayer exciton diffusion in WS2 –WSe2 heterobilayers L Yuan, B Zheng, J Kunstmann, T Brumme, AB Kuc, C Ma, S Deng, ...
Nature materials 19 (6), 617-623, 2020
299 2020 First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity T Brumme, M Calandra, F Mauri
Physical Review B 91 (15), 155436, 2015
169 2015 Evidence for flat bands near the Fermi level in epitaxial rhombohedral multilayer graphene D Pierucci, H Sediri, M Hajlaoui, JC Girard, T Brumme, M Calandra, ...
ACS nano 9 (5), 5432-5439, 2015
150 2015 Modeling spin transport in helical fields: derivation of an effective low-dimensional Hamiltonian R Gutierrez, E Díaz, C Gaul, T Brumme, F Domínguez-Adame, G Cuniberti
The Journal of Physical Chemistry C 117 (43), 22276-22284, 2013
148 2013 Momentum-Resolved View of Electron-Phonon Coupling in Multilayer L Waldecker, R Bertoni, H Hübener, T Brumme, T Vasileiadis, D Zahn, ...
Physical Review Letters 119 (3), 036803, 2017
121 2017 Direct observation of the tunneling channels of a chemisorbed molecule BW Heinrich, C Iacovita, T Brumme, DJ Choi, L Limot, MV Rastei, ...
The Journal of Physical Chemistry Letters 1 (10), 1517-1523, 2010
83 2010 Coverage-driven electronic decoupling of Fe-phthalocyanine from a Ag (111) substrate TG Gopakumar, T Brumme, J Kroger, C Toher, G Cuniberti, R Berndt
The Journal of Physical Chemistry C 115 (24), 12173-12179, 2011
81 2011 Electrochemical doping of few-layer ZrNCl from first principles: Electronic and structural properties in field-effect configuration T Brumme, M Calandra, F Mauri
Physical Review B 89 (24), 245406, 2014
68 2014 Stone–wales defects cause high proton permeability and isotope selectivity of single‐layer graphene Y An, AF Oliveira, T Brumme, A Kuc, T Heine
Advanced Materials 32 (37), 2002442, 2020
46 2020 Phosphoric Acid Catalyzed Formation of Hydrogen-Bonded o -Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward … F Göricke, S Haseloff, M Laue, M Schneider, T Brumme, C Schneider
The Journal of Organic Chemistry 85 (18), 11699-11720, 2020
32 2020 Electron–phonon-driven three-dimensional metallicity in an insulating cuprate E Baldini, MA Sentef, S Acharya, T Brumme, E Sheveleva, F Lyzwa, ...
Proceedings of the National Academy of Sciences 117 (12), 6409-6416, 2020
32 2020 Dynamical bistability of single-molecule junctions: A combined experimental and theoretical study of PTCDA on Ag (111) T Brumme, OA Neucheva, C Toher, R Gutiérrez, C Weiss, R Temirov, ...
Physical Review B—Condensed Matter and Materials Physics 84 (11), 115449, 2011
27 2011 Atomic and electronic structure of trilayer graphene/SiC (0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer D Pierucci, T Brumme, JC Girard, M Calandra, MG Silly, F Sirotti, ...
Scientific Reports 6 (1), 33487, 2016
23 2016 Anisotropic strain on phonons in a-plane GaN layers studied by Raman scattering G Irmer, T Brumme, M Herms, T Wernicke, M Kneissl, M Weyers
Journal of Materials Science: Materials in Electronics 19, 51-57, 2008
19 2008 Strong dipolar repulsion of one-dimensional interfacial excitons in monolayer lateral heterojunctions L Yuan, B Zheng, Q Zhao, R Kempt, T Brumme, AB Kuc, C Ma, S Deng, ...
ACS nano 17 (16), 15379-15387, 2023
18 * 2023 Thiol-based defect healing of WSe2 and WS2 A Schwarz, H Alon-Yehezkel, A Levi, RK Yadav, K Majhi, Y Tzuriel, ...
npj 2D Materials and Applications 7 (1), 59, 2023
12 2023 Determination of scattering time and of valley occupation in transition-metal dichalcogenides doped by field effect T Brumme, M Calandra, F Mauri
Physical Review B 93 (8), 081407, 2016
12 2016 Strong band-filling-dependence of the scattering lifetime in gated MoS2 nanolayers induced by the opening of intervalley scattering channels D Romanin, T Brumme, D Daghero, RS Gonnelli, E Piatti
Journal of Applied Physics 128 (6), 2020
10 2020 