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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 | B4 | B4 - First-principles characterization of hybrid inorganic/organic interfaces - Publications

B4
First-principles characterization of hybrid inorganic/organic interfaces

Publications

H. Shang, N. Raimbault, P. Rinke, M. Scheffler, M. Rossi, C. Carbogno
All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT
New J. Phys. 20, 073040 (2018)
doi: 10.1088/1367-2630/aace6d
J. Li, M. Bouchard, P. Reiss, D. Aldakov, S. Pouget, R. Demadrille, C. Aumaitre, B. Frick, D. Djurado, M. Rossi, P. Rinke,
Activation Energy of Organic Cation Rotation in CH3NH3PbI3 and CD3NH3PbI3: Quasi-Elastic Neutron Scattering Measurements and First-Principles Analysis Including Nuclear Quantum Effects
J Phys Chem Lett (2018)
doi: 10.1021/acs.jpclett.8b01321
J. F. Specht, E. Verdenhalven, B. Bieniek, P. Rinke, A. Knorr, M. Richter
Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers
Phys. Rev. Appl. 9, 044025 (2018)
doi: 10.1103/PhysRevApplied.9.044025
O. T. Hofmann, P. Rinke
Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers
Adv. Electron. Mater. 2017, 1600373 (2017)
doi: 10.1002/aelm.201600373
J. Stähler, P. Rinke
Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces
Chem. Phys. 485-486, 149 (2017)
doi: 10.1016/j.chemphys.2016.11.017
M. Richter, M. Gegg, T. S. Theuerholz, A. Knorr
Numerically exact solution of the many emitter–cavity laser problem: Application to the fully quantized spaser emission
Phys. Rev. B 91, 035306 (2015)
doi: 10.1103/PhysRevB.91.035306
J. F. Specht, A. Knorr, M. Richter
Two-dimensional spectroscopy: An approach to distinguish Förster and Dexter transfer processes in coupled nanostructures
Phys. Rev. B 91, 155313 (2015)
doi: 10.1103/PhysRevB.91.155313
M. Gegg, T. S. Theuerholz, A. Knorr, M. Richter
Fully quantized spaser physics: towards exact modeling of mesoscopic CQED systems
Proc. SPIE 9361, Ultrafast Phenomena and Nanophotonics XIX, 93610Z (2015)
doi: 10.1117/12.2073293
O. Sinai, O. T. Hofmann, M. Scheffler, P. Rinke, G. Heimel, L. Kronik
A multi-scale approach to the electronic structure of doped-semiconductor surfaces
Phys.Rev. B 91, 075311 (2015)
doi: 10.1103/PhysRevB.91.075311
H. Sezen, H. Shang, F. Bebensee, C. Yang, M. Buchholz, A. Nefedov, S. Heissler, C. Carbogno, M. Scheffler, P. Rinke, C. Wöll
Evidence for photogenerated intermediate hole polarons in ZnO
Nature Communications 6, 6901 (2015)
doi: 10.1038/ncomms7901
O. T. Hofmann, P. Rinke, M. Scheffler, G. Heimel
Integer versus fractional charge transfer at metal(/insulator)/organic interfaces: Cu(/NaCl)/TCNE
ACS Nano 9, 5391 (2015)
doi: 10.1021/acsnano.5b01164
B. Bieniek, O.T. Hofmann, and P. Rinke
Influence of Hydrogen on the Structure and Stability of Ultra-Thin ZnO on Metal Substrates
Appl. Phys. Lett. 106, 131602 (2015)
doi: 10.1063/1.4917015
L. Nemec, F. Lazarevic, P. Rinke, M. Scheffer, and V. Blum
Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3×3)-3C-SiC(1 1 1) reconstruction
Phys. Rev. B 91, 161408(R) (2015)
doi: 10.1103/PhysRevB.91.161408
J.-C. Deinert, O. Hofmann, M. Meyer, P. Rinke, J. Stähler
Local Aspects of Hydrogen-Induced Metallization of the ZnO(1010) Surface
Phys. Rev. B, 91, 235313 (2015)
doi: 10.1103/PhysRevB.91.235313
E. Verdenhalven, A. Knorr, M. Richter, B. Bieniek, and P. Rinke
Theory of optical excitations in dipole-coupled hybrid molecule-semiconductor layers: Coupling of a molecular resonance to semiconductor continuum states
Phys. Rev. B 89, 235314 (2014)
doi: 10.110/PhysRevB.89.235314
T. Sverre Theuerholz, A. Carmele, M. Richter, A. Knorr
Influence of Förster interaction on light emission statistics in hybrid systems
Physical Review B 87, 245313 (2013)
doi:10.1103/PhysRevB.87.245313
O. T. Hofmann, V. Atalla, N. Moll, P. Rinke, and M. Scheffler
Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory
New J. Phys. 15, 123028 (2013)
doi: 10.1088/1367-2630/15/12/123028
O. T. Hoffmann, J.-C. Deinert, Y. Xu, P. Rinke, J. Stähler, M. Wolf, Matthias Scheffler
Large work function reduction by adsorption of a molecule with a negative electron affinity: Pyridine on ZnO(10-10)
J. Chem. Phys. 139, 174701 (2013)
doi:10.1063/1.4827017
Y. Xu, O. T. Hofmann, R. Schlesinger, S. Winkler, J. Frisch, J. Niederhausen, A. Vollmer, S. Blumstengel, F. Henneberger, N. Koch, P. Rinke, M. Scheffler
Space Charge Transfer in Hybrid Inorganic/Organic Systems
Phys. Rev. Lett. 111, 226802 (2013)
doi:10.1103/PhysRevLett.111.226802
Lydia Nemec, Volker Blum, Patrick Rinke, Matthias Scheffler
Thermodynamic Equilibrium Conditions of Graphene Films on SiC
PRL 111, 065502 (2013) (+Supplementary material)
doi:10.1103/PhysRevLett.111.065502
N. Moll, Y. Xu, O. T. Hofmann, and P. Rinke
Stabilization of semiconductor surfaces through bulk dopants
New J. Phys. 15, 083009 (2013)
doi: 10.1088/1367-2630/15/8/083009
J. Stähler, O. T. Hofmann, P. Rinke, S. Blumstengel, F. Henneberger, Y. Li, T. F. Heinz
Raman study of 2,7-bis(biphenyl-4-yl-)2',7'-ditertbutyl-9,9'-spirobifluorene adsorbed on oxide surfaces
Chem. Phys. Lett. 587, 74 (2013)
doi:10.1016/j.cplett.2013.08.030
R. Schlesinger, Y. Xu, O. T. Hofmann, S. Winkler, J. Frisch, J. Niederhausen, A. Vollmer, S. Blumstengel, F. Henneberger, P. Rinke, M. Scheffler, N. Koch
Controlling the work function of ZnO and the energy-level alignment at the interface to organic semiconductors with a molecular electron acceptor
Physical Review B 87, 155311 (2013)
doi:10.1103/PhysRevB.87.155311

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