2023

• M. Schober, N. Jungwirth, T. Kobayashi, J.A.F. Lehmeyer, M. Krieger, H.B. Weber, and M. Bockstedte, The optical properties of the carbon di-vacancy-antisite complex in the light of the TS photoluminescence center, Defect and Diffusion Forum 426, 43 (2023), DOI: 10.4028/p-90qste, opens an external URL in a new window

2022

• O. Malcioglu, M. Bockstedte, Self-metalation of a free-base porphyrin on a metal oxide surface mediated by extended defects: Insight from ab initio molecular dynamics simulations, Surf. Sci. 723, 122101 (2022),  DOI: 10.1016/j.susc.2022.122101, opens an external URL in a new window

2021

• S. Ninova, O. B. Malcioglu, Ph. Auburger, M. Franke, O. Lytken, H.-P. Steinrück, and M. Bockstedte, Morphology dependent interaction between Co(II)-tetraphenylporphyrin and the MgO(100) surface, Phys. Chem. Chem. Phys. 23, 2105 (2021), DOI: 10.1039/D0CP04859C, opens an external URL in a new window
• Maximilian Rühl , Johannes Lehmeyer , Roland Nagy, Matthias Weisser, Michel Bockstedte, Michael Krieger, and Heiko B. Weber,  Removing the orientational degeneracy of the TS defect in 4HSiC by electric fields and strain, New. J. Phys. 23, 073002 (2021),
  DOI: 10.1088/1367-2630/abfb3e, opens an external URL in a new window

2020

• C. Bertram, Ph. Auburger, M. Bockstedte, J. Stähler, U. Bovensiepen, K. Morgenstern, Impact of Electron Solvation on Ice Structures at the Molecular Scale,
  J. Phys. Chem. Lett. 11, 1310 (2020), DOI:10.1021/acs.jpclett.9b03723, opens an external URL in a new window

• O. B. Malcioglu, I. Bechis, M. Bockstedte, Effect of crystallization on the electronic and optical properties of archetypal porphyrins,
  Phys. Chem. Chem. Phys. 22, 3825 (2020), DOI: 10.1039/C9CP06040E, opens an external URL in a new window

2019

• M. Widmann, M. Niethammer, D. Yu. Fedyanin, I. A. Khramtsov, T. Rendler, I. D. Booker, J. Ul Hassan, N. Morioka, Y.-C. Chen, I. G. Ivanov, N. T. Son, T. Ohshima, M. Bockstedte, A. Gali, C. Bonato, Sang-Yun Lee, J, Wrachtrup, Electrical Charge State Manipulation of Single Silicon Vacancies in a Silicon Carbide Quantum Optoelectronic Device, Nano Lett. 19, 7173 (2019).

• C. Bertram, Ph. Auburger,  M. Bockstedte, J. Stähler, U. Bovensiepen, K. Morgenstern, Impact of electron solvation on ice structures at the molecular scale, arXiv:1909.03844v2.

• M. Niedermaier, T. Schwab, P. Dolcet,  J. Bernardi, S. Gross, M. Bockstedte, Oliver Diwald, Cobalt and Iron Ions in MgO Nanocrystals: Should They Stay or Should They Go, J. Phys. Chem. C 123, 25991 (2019).

• K. Kocsis, M. Niedermaier, V. Kasparek, J. Bernardi, G. Redhammer, M. Bockstedte, T. Berger, O. Diwald, From Anhydrous Zinc Oxide Nanoparticle Powders to Aqueous Colloids: Impact of Water Condensation and Organic Salt Adsorption on Free Exciton Emission, Langmuir 35, 8741 (2019).

2018

• Ph. Auburger, I. Kemeny, C. Bertram, M. Ligges, M. Bockstedte, U. Bovensiepen, K. Morgenstern, Microscopic insight into electron-induced dissociation of aromatic molecules on ice, Phys. Rev. Lett., 121, 206001 (2018).

• M. Bockstedte, F. Schutz, Th. Garratt, V. Ivady, A. Gali, Ab initio description of highly correlated states in defects for realizing quantum bits,Nature Partner Journal Quantum Materials, 3, 31 (2018).

• V. Prucker, M. Bockstedte, M. Thoss, P. B. Coto, Dynamical simulation of electrontransfer processes in self-assembled monolayers at metal surfaces using a density matrixapproach, J. Chem. Phys., 148, 124705 (2018).

2017

• A. Classen, R. Pöschel, G. Di Filippo, T. Fauster, O. B. Malcioğlu and M. Bockstedte, Electronic Structure of Tetraphenylporphyrin layers on Ag(100), Phys. Rev. B 95, 115414 (2017).

• D. Thomele, G. R. Bourret, J. Bernardi, M. Bockstedte and O. Diwald, Hydroxylation Induced Alignment of Metal Oxide Nanocubes, Angew. Chem. Int. Ed. 56, 1407 (2017).

2016

• M. D. Weber, J. E. Wittmann, A. Burger, O. B. Malcioğglu, J. Segarra-Marti, A. Hirsch, P. B. Coto, M. Bockstedte and R. D. Costa, From white to Red: Electric-Field Dependent Chromaticity of Light-Emitting Electrochemical Cells based on Archetypal Porphyrins, Adv. Funct. Mater. 26, 6737 (2016).

• A. Erpenbeck, R. Härtle, M. Bockstedte and M. Thoss, Vibrationally dependent electron- electron interactions in resonant electron transport through single-junction molecules, Phys. Rev. B 93, 115421 (2016).
• M. Bockstedte, A. Michl, M. Kolband, M. Mehlhorn and K. Morgenstern, Incomplete Bilayer Termination of the Ice (0001) Surface, J. Phys. C 120, 1097 (2016).

• M. Krieger, M. Ruhl, T. Sledziewsky, G. Ellrot, T. Palm, H. B. Weber, M. Bockstedte, Doping of 4H-SiC with group IV elements, Mat. Sci. Forum, 858, 301 (2016).

2015

• K. Szasz, V. Ivady, I. I. Abrikosov, E. Janzéen, M. Bockstedte and A. Gali, Spin and photophysics of carbon-antisite vacancy defect in 4H silicon carbide: A potential quan- tum bit, Phys. Rev. B 91, 121201(R) (2015).

2014

• S. Beljakowa, M. Hauck, M. Bockstedte, F. Fromm, M. Hundhausen, H. Nagasaw, H. B. Weber, G. Pensl and M. Krieger, Persistent conductivity in n-type 3C-SiC observed at low temperatures, Mater. Sci. Forum 778-780, 265 (2014).

2013

• V. Prucker, O. Rubio-Pons, M. Bockstedte, H. Wang, P. B. Coto and M. Thoss, Dynamical simulation of electron transfer processes in alkanethiolate self-assembled monolayers at the Au(111) surface, J. Phys. C 117, 25334 (2013).

2012

• V. Prucker, O. Rubio-Pons, M. Bockstedte, H. Wang, P. B. Coto and M. Thoss, Dynamical simulation of electron transfer processes in alkanethiolate self-assembled monolayers at the Au(111) surface, J. Phys. C 117, 25334 (2013).

• F. Blobner, P. B. Coto, F. Allegretti, M. Bockstedte, O. Rubio-Pons, H. Wang, D. L. Allara, M. Zharnikov, M. Thoss and P. Feulner, Orbital-symmetry-dependent electron transfer through molecules assembled on metal substrates, J. Phys. Chem. Lett. 3, 436 (2012).

2011

• A. Decker, S. Suraru, O. Rubio-Pons, E. Mankel, M. Bockstedte, M. Thoss, F. Würthner, T. Mayer and W. Jägermann, Towards Functional Inorganic / Organic Hybrids: Phenoxy- Allyl-PTCDI Synthesis, Experimentally and Theoretically Determined Properties of the Isolated Molecule, Layer Characteristics, and the Interface Formation of Phenoxy- Allyl-PTCDI on Si(111):H Determined by SXPS and DFT, J. Phys. Chem. C 115, 21139 (2011).

• C. Attaccalite, M. Bockstedte, A. Marini, A. Rubio and L. Wirtz, Coupling of excitons and defect states in boron-nitride nanostructures, Phys. Rev. B 83, 144115 (2011).

2010

• M. Bockstedte, A. Marini, O. Pankratov and A. Rubio, Many-Body Effects in the Excitation Spectrum of a Defect in SiC, Phys. Rev. Lett. 105, 026401 (2010).

• O. Pankratov, S. Hensel and M. Bockstedte, Electron spectrum of epitaxial graphene monolayers, Phys. Rev. B 82, 121416(R) (2010).

2009

• U. Bovensiepen, C. Gahl, J. Stähler, M. Bockstedte, M. Meyer, F. Baletto, S. Scandolo, X.-Y. Zhu, A. Rubio, M. Wolf, A Dynamic Landscape from Femtoseconds to Minutes for Excess Electrons at Ice-Metal Interfaces, J. Phys. Chem. C 113, 979 (2009).

• M. Bockstedte, A. Marini, A. Gali, O. Pankratov and A. Rubio, Defects identified in SiC and their implications, Mater. Sci. Forum 285, 600 (2009).

2008

• M. Bockstedte, A. Gali, A. Mattausch, O. Pankratov and J. W. Steeds, Identification of intrinsic Defects in SiC: Towards an understanding of defect aggregates by combining theoretical and experimental approaches, phys. stat. sol. (b) 245, 1281 (2008).

2007

• G. Pensl, F. Schmid, S. Reshanov, H. Weber, M. Bockstedte, A. Mattausch, O. Pankratov, T. Ohshima and H. Itoh, (Nitrogen-Vacancy)-Complex Formation in SiC: Experiment and Theory, Mater. Sci. Forum 556-557, 307 (2007).

• A. Gali, T. Hornos, M. Bockstedte and T. Frauenheim, Point defect aggregation in Silicon Carbide, Mater. Sci. Forum 556-557, 439 (2007).

2006

• A. Mattausch, M. Bockstedte, O. Pankratov, J. W. Steeds, S. Furkert, J. M. Hayes, W. Sullivan and N. G. Wright, Thermally stable carbon-related centers in 6H-SiC: Pho- toluminescence spectra and microscopic models, Phys. Rev. B 73, 161201(R) (2006).

• F. Schmid, S. A. Reshanov, H. B. Weber, G. Pensl, M. Bockstedte, A. Mattausch, O. Pankratov, T. Ohshima and H. Itoh, Deactivation of nitrogen donors in silicon carbide, Phys. Rev. B 74, 245212 (2006).

• N. T. Son, T. Umeda, J. Isoya, A. Gali, M. Bockstedte, B. Magnusson, A. Ellison, N. Morishita, T. Oshima, H. Itoh and E. Janzén, Divacancy in 4H-SiC, Phys. Rev. Lett. 96, 055501 (2006).
• T. Umeda, N. T. Son, J. Isoya, E. Janzén, T. Ohshima, N. Morishita, H.  Itoh, A. Gali and M. Bockstedte, Identification of the carbon antisite-vacancy pair in 4H-SiC, Phys. Rev. Lett. 96, 145501 (2006).

• M. Bockstedte, A. Gali, T. Umeda, N. T. Son, J. Isoya and E. Janzén, Signature of the negative carbon vacancy-antisite complex, Mater. Sci. Forum 527-529, 539 (2006).

• A. Gali, M. Bockstedte, N. T. Son, T. Umeda, J. Isoya and E. Janzén, Divacancy and its Identification: Theory, Mater. Sci. Forum 527-529, 523 (2006).

• M. Bockstedte, A. Mattausch and O. Pankratov, Kinetic mechanisms for the deactivation of nitrogen in SiC, Mater. Sci. Forum 527-529, 621 (2006).

2005

• M. Bockstedte, A. Mattausch and O. Pankratov, Kinetic aspects of the interstitial-mediated boron diffusion in SiC, Mater. Sci. Forum 483-485, 527 (2005).

• A. Mattausch, M. Bockstedte and O. Pankratov, Ab initio study of dopant interstitials in 4H-SiC, Mater. Sci. Forum 483-485, 523 (2005).

2004

• M. Bockstedte, A. Mattausch and O. Pankratov, The Solubility and Defect Equilibrium on the n-Type Dopants Nitrogen and Phosphorus in 4H-SiC: A Theoretical Study, Mater. Sci. Forum 457-460, 715 (2004).

• A. Mattausch, M. Bockstedte and O. Pankratov, Structure and Vibrational Spectra of Carbon Clusters in SiC, Phys. Rev. B 70, 235211 (2004).

• A. Mattausch, M. Bockstedte and O. Pankratov, A Theoretical Study of Carbon Clusters in SiC: a Sink and a Source of Carbon Interstitials, Mater. Sci. Forum 457-460, 449 (2004).

• M. Bockstedte, A. Mattausch and O. Pankratov, Different role of carbon and silicon interstitials in the boron diffusion in SiC, Phys. Rev. B 70, 115203 (2004).

• M. Bockstedte, A. Mattausch and O. Pankratov, Solubility of nitrogen and phosphorus in 4H-SiC: a theoretical study, Appl. Phys. Lett. 85, 58 (2004).

• M. Bockstedte, A. Mattausch and O. Pankratov, Ab initio study of annealing of vacancies and interstitials in cubic SiC: Vacancy-interstitial recombination and aggregation carbon interstitials, Phys. Rev. B 69, 235202 (2004).

• A. Mattausch, M. Bockstedte and O. Pankratov, Carbon antisite clusters in SiC: A possible pathway the DII center, Phys. Rev. B 69, 45322 (2004).

2003

• M. Bockstedte, A. Mattausch and O. Pankratov, Ab initio study of the migration of intrinsic defects in 3C-SiC, Phys. Rev. B 68, 205201 (2003).

• M. Bockstedte, M. Heid and O. Pankratov, Signature of intrinsic defects in SiC: ab inito calculation of hyperfine tensors, Phys. Rev. B 67, 193102 (2003).

• M. Bockstedte, M. Heid, A. Mattausch and O. Pankratov, Identification and annealing of common intrinsic defect centers, Mater. Sci. Forum 433-436, 471 (2003).

• S. Walter, R. Bandorf, W. Weiss, K. Heinz, U. Starke, M. Strass, M. Bockstedte and O. Pankratov, Chemical termination of the CsCl-structure FeSi/Si(111) film surface and its multilayer relaxation, Phys. Rev. B 67, 85413 (2003).