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Humboldt-Universität zu Berlin - Mathematisch-Naturwissen­schaft­liche Fakultät - SFB 951 - HIOS

Humboldt-Universität zu Berlin | Mathematisch-Naturwissen­schaft­liche Fakultät | Institut für Physik | SFB 951 - HIOS | Research | Research Projects | Topic Area B | B11 | B11 - Opto-electronic excitations at inorganic/organic interfaces: Role of vibrations and time scales - Publications

B11
Opto-electronic excitations at inorganic/organic interfaces: Role of vibrations and time scales

Publications

C. Vorwerk, B. Aurich, C. Cocchi, C. Draxl
Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the "exciting" code
Accepted Manuscript, Electronic Structure (2019)
doi: 10.1088/2516-1075/ab3123
K.-W. Lau, C. Cocchi, C. Draxl
Electronic and optical excitations of two-dimensional ZrS2 and HfS2 and their heterostructure
Phys. Rev. Materials 3, 074001 (2019)
doi: 10.1103/PhysRevMaterials.3.074001
Q. Fu, C. Draxl
Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom Catalysts
Phys. Rev. Lett. 122, 046101 (2019)
doi: 10.1103/PhysRevLett.122.046101
P. Beyer, D. Pham, C. Peter, N. Koch, E. Meister, W. Brütting, L. Grubert, S. Hecht, D. Nabok, C. Cocchi, C. Draxl, A. Opitz
State-of-Matter-Dependent Charge-Transfer Interactions between Planar Molecules for Doping Applications
Chem. Mater., Article ASAP (2019)
doi: 10.1021/acs.chemmater.8b01447
C. Cocchi, T. Breuer, G. Witte, C. Draxl
Polarized absorbance and Davydov splitting in bulk and thin-film pentacene polymorphs
Phys. Chem. Chem. Phys. 20, 29724(2018)
doi: 10.1039/C8CP06384B
O. Turkina, D. Nabok, A. Gulans, C. Cocchi, C. Draxl
Electronic and Optical Excitations at the Pyridine/ZnO(1010) Hybrid Interface
Adv. Theory Simul., 1800108 (2018)
doi: 10.1002/adts.201800108
L. Pithan, D. Nabok, C. Cocchi, P. Beyer, G. Duva, J. Simbrunner, J. Rawle, C. Nicklin, P. Schäfer, C. Draxl, F. Schreiber, S. Kowarik
Molecular structure of the substrate-induced thin-film phase of tetracene
J. Chem. Phys. 149, 144701 (2018)
doi: 10.1063/1.5043379
R. R. Pela, A. Gulans, C. Draxl
The LDA-1/2 Method Applied to Atoms and Molecules
J. Chem. Theory Comput. 14, 4678 (2018)
doi: 10.1021/acs.jctc.8b00518
W. Aggoune, C. Cocchi, D. Nabok, K. Rezouali, M. Akli Belkhir, C. Draxl
Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride
Phys. Rev. B 97 241114(R)(2018)
doi: 10.1103/PhysRevB.97.241114
F. Caruso, D. Novko, C. Draxl
Phonon-assisted damping of plasmons in three- and two-dimensional metals
Phys. Rev. B 97, 205118 (2018)
doi: 10.1103/PhysRevB.97.205118
C. Vorwerk, C. Hartmann, C. Cocchi, G. Sadoughi, S. Habisreutinger, R. Felix, R. Wilks, H. Snaith, M. Bär, C. Draxl
Exciton-dominated core-level absorption spectra of hybrid organic-inorganic lead halide perovskites
J. Chem. Phys. Lett. 9, 1852 (2018)
doi: 10.1021/acs.jpclett.8b00378
J. Gesenhues, D. Nabok, M. Rohlfing, C. Draxl
Analytical representation of dynamical quantities in GW from a matrix resolvent
Phys. Rev. B 96, 245124 (2017)
doi: 10.1103/PhysRevB.96.245124
W. Aggoune, C. Cocchi,D. Nabok, K. Rezouali, M. Akli Belkhir, C. Draxl
Enhanced Light-Matter Interaction in Graphene/h-BN van der Waals Heterostructures
J. Phys. Chem. Lett. 8, 1464 (2017)
doi: 10.1021/acs.jpclett.7b00357
Q. Fu, C. Cocchi, D. Nabok, A. Gulans, C. Draxl
Graphene-modulated photo-absorption in adsorbed azobenzene monolayers
Phys. Chem. Chem. Phys. 19, 6196 (2017)
doi: 10.1039/c6cp06939h
C. Vorwerk, C. Cocchi, C. Draxl
Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles
Phys. Rev. B 95, 155121 (2017)
doi: 10.1103/PhysRevB.95.155121
B. Klett, C. Cocchi, L. Pithan, S. Kowarik, C. Draxl
Polymorphism in alpha-sexithiophene crystals: relative stability and transition path
Phys. Chem. Chem. Phys. 18, 14603-9 (2016)
doi: 10.1039/c6cp01405d
C. Cocchi, H. Zschiesche, D. Nabok, A. Mogilatenko, M. Albrecht, Z. Galazka, H. Kirmse, C. Draxl, C. T. Koch
Atomic signatures of local environment from core-level spectroscopy in β−Ga2O3
Phys. Rev. B 94, 075147 (2016)
doi: 10.1103/PhysRevB.94.075147
U. Hohenester, C. Draxl
Ab initio approach for gap plasmonics
Phys. Rev. B 94, 165418 (2016)
doi: 10.1103/PhysRevB.94.165418
D. Nabok, A. Gulans, C. Draxl
Accurate all-electron G0W0 quasiparticle energies employing the full-potential augmented plane-wave method
Phys. Rev. B 94, 35118 (2016)
doi: 10.1103/PhysRevB.94.035118
Q. Fu, D. Nabok, C. Draxl
Energy-Level Alignment at the Interface of Graphene Fluoride and Boron Nitride Monolayers: An Investigation by Many-Body Perturbation Theory
J. Phys. Chem. C 120, 11671 (2016)
doi: 10.1021/acs.jpcc.6b01741
C. Vorwerk, C. Cocchi, C. Draxl
LayerOptics: Microscopic modeling of optical coefficients in layered materials
Comput. Phys. Commun. 201, 119 (2016)
doi: 10.1016/j.cpc.2016.01.004
S.-A. Savu, G. Biddau, L. Pardini, R. Bula, H. F. Bettinger, C. Draxl, T. Chassé, M. B. Casu
Fingerprint of fractional charge transfer at the metal/organic interface
J. Phys. Chem. C 119, 12538 (2015)
doi: 10.1021/acs.jpcc.5b03768
S. Rigamonti, S. Botti, V. Veniard, C. Draxl, L. Reining, and F. Sottile
Estimating Excitonic Effects in the Absorption Spectra of Solids: Problems and Insight from a Guided Iteration Scheme
Phys. Rev. Lett. 114, 1463402 (2015)
doi: 10.1103/PhysRevLett.114.146402
C. Cocchi, C. Draxl
Optical Spectra from Molecules to Crystals: Insight from Many-body Perturbation Theory
Phys. Rev. B 92, 205126 (2015)
doi: 10.1103/PhysRevB.92.205126
L. Pithan, C. Cocchi, H. Zschiesche, C. Weber, A. Zykov, S. Bommel, S. J. Leake, P. Schäfer, C. Draxl, S. Kowarik
Light controls polymorphism in thin films of sexithiophene
Cryst. Growth Des. 15, 1319 (2015)
doi: 10.1021/cg501734w
C. Draxl, D. Nabok, K. Hannewald
Organic/inorganic hybrid materials: Challenges for ab initio methodology
Acc. Chem. Res. 47, 3225 (2014)
doi:10.1021/ar500096q
A. Gulans, S. Kontur, C. Meisenbichler, D. Nabok, P. Pavone, S. Rigamonti, S. Sagmeister, U. Werner, C. Draxl
Exciting: A full-potential all-electron package implementing densityfunctional theory and many-body perturbation theory
J. Phys: Condens. Matter 26, 363202 (2014)
doi:10.1088/0953-8984/26/36/363202

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