Publications

2021

  • S. Ninova, O. B. Malcioglu, Ph. Auburger, M. Franke, O. Lytken, H.-P. Steinrück, 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

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
  • 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

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).