PD Dr. habil. Tillmann Klamroth
Universität Potsdam
Institute of Chemistry
Karl-Liebknecht-Str. 24/25, Haus 25
D-14476 Potsdam-Golm
Germany

Tel.: +49 (0)331-977-5237
Fax: +49 (0)331-977-5058

email: klamroth(at)uni-potsdam.de
T. Klamroth

Research Topics

Curriculum Vitae

Publications

Research Topics


The majority of my research is concerned with the dynamics of electrons, atoms and molecules at solid surfaces, in nano scale systems and gas phase. Particularly I am interested in the dynamics of (optical) excited electrons, since they often induce further physical or chemical processes, for example a change in the state of a molecular switch on a surface or desorption of an adsorbate. The understanding of such ultra-fast electronic processes, which evolve within a few femtoseconds or even attoseconds, is important not only because of the impressive advances in laser technology, which led to the experimental generation of attosecond laser pulses, but also with respect to future applications in the field of molecular electronics.

Our main tools are wave packet and open system density matrix propagations and also ab initio many-electron dynamics methods (time-dependent configuration interaction methods). Our recent research topics are described below.


Curriculum Vitae


Tillmann Klamroth
Born: 04.06.72 in Salzgitter (Germany)

Scientific career

Oct. 1991 Studies in Chemistry at the Freie Universität (FU) Berlin.
03.07.1997 Diploma in chemistry. Diploma thesis in the group of Prof. Dr. J. Manz, institute for Physical and Theoretical Chemistry of the FU-Berlin. Subject: Beiträge zu einer Theorie zur Berechnung elektronisch angeregter Adsorbatzustände.
27.10.2000 PhD thesis at the FU-Berlin. Subject: Quantum dynamics of atoms and electrons at non rigid solid surfaces.
08.01.2007 Habilitation at the Universität Potsdam. Subject: Quantum mechanical simulations for correlated many-electron dynamics and electron induced processes at surfaces.
18.06.2007 Privatdozent (PD) at the Institute of Chemistry (Theoretical Chemistry), Universität Potsdam.

Funded research projects

Scientific visits

June 1998 Four weeks visit to Prof. Dr. T. Uzer, Georgia Institute of Technology (Atlanta, Gerogia, USA).
Oct. 1998 - Feb. 2000 Honorary Research Assistant at the University College London, Department of Chemistry (UK).
Feb. 1999 Three weeks visit to Prof. Dr. T. Uzer, Georgia Institute of Technology.
Oct.-Nov. 2005 Scientific visit to Prof. Dr. E. J. Baerends Vrije Universiteit, Amsterdam, Netherlands

Employment record

Oct. 1997 - Sept. 2000 Scientist with Priv.-Doz. Dr. P. Saalfrank and Prof. Dr. J. Manz at the FU Berlin funded by the DFG
Oct. 2000- Jan. 2001 Research associate for Prof. Dr. P. Saalfrank at the Universität Regensburg
Feb. 2001 - March 2003 Scientific assistant for Prof. Dr. P. Saalfrank at the Universität Regensburg
Apr. 2003 - Jan. 2007 Scientific assistant for Prof. Dr. P. Saalfrank at the Universität Potsdam
Since Feb. 2007 Research associate at the Universität Potsdam

Publications

Peer reviewed publications

  1. P. Saalfrank, T. Klamroth, Quantum theory of photodesorption of neutrals from metals: Ab initio calculations and active control, Ber. Bunsenges. Phys. Chem. 99, 1347 (1995).

  2. T. Klamroth, P. Saalfrank, A tight-binding Green's function approach to adsorbate electronic ground and excited states and their lifetimes, Surf. Sci. 410, 21 (1998), doi:10.1016/S0039-6028(98)00288-X .

  3. L. Bartels, M. Wolf, T. Klamroth, P. Saalfrank, A. Kühnle, G. Meyer, K.-H. Rieder, Atomic-scale chemistry: Desorption of ammonia from Cu(111) induced by tunneling electrons, Chem. Phys. Lett. 313, 544 (1999), doi:10.1016/S0009-2614(99)01108-2 .

  4. T. Klamroth, P. Saalfrank, Effect of substrate vibrations on the sticking of atoms at surfaces: A critical comparison of different propagation methods for the H/Cu(100) system, J. Chem. Phys. 112, 10571 (2000), doi:10.1063/1.481691 .

  5. T. Klamroth, P. Saalfrank, U. Höfer, Open-system density-matrix approach to image-potential dynamics of electrons at Cu(100): Energy- and time-resolved two-photon photoemission spectra, Phys. Rev. B. 64, 035420 (2001), doi:10.1103/PhysRevB.64.035420 .

  6. C. Corriol, G.R. Darling, S. Holloway, W. Brenig, I. Andrianov, T. Klamroth, P. Saalfrank, Theory of electron stimulated desorption and dissociation of CO at transition metals, J. Chem. Phys. 117, 4489 (2002), doi:10.1063/1.1498474 .

  7. C. Corriol, G.R. Darling, S. Holloway, I. Andrianov, T. Klamroth, P. Saalfrank, Vibrational heating in electron stimulated desorption of CO from transition metals: A classical mechanics analysis, Surf. Sci. 528, 27 (2003), doi:10.1016/S0039-6028(02)02606-7 .

  8. T. Klamroth, Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model, Phys. Rev. B 68, 245421 (2003), doi:10.1103/PhysRevB.68.245421 .

  9. A. Thon, M. Merschdorf, W. Pfeiffer, T. Klamroth, P. Saalfrank, D. Diesing, Photon-assisted tunneling versus tunneling of excited electrons in metal-insulator-metal junctions, Appl. Phys. A 78, 189 (2004), doi:10.1007/s00339-003-2314-2 .

  10. C. Huber, T. Klamroth, Simulation of two-photon-photoelectron spectra at a jellium-vacuum interface, Appl. Phys. A 81, 93 (2005), doi:10.1007/s00339-004-3033-z .

  11. P. Saalfrank, T. Klamroth, C. Huber, P. Krause, Laser-driven electron dynamics at interfaces, Isr. J. Chem. 45, 205 (2005), doi:10.1560/NM0D-WWP5-VPHU-QMTP .

  12. M. Nest, T. Klamroth, P. Saalfrank, The multiconfiguration time-dependent Hartree-Fock method for quantum chemical calculations, J. Chem. Phys. 122, 124102 (2005), doi:10.1063/1.1862243 .

  13. I. Andrianov, T. Klamroth, P. Saalfrank, U. Bovensiepen, C. Gahl, M. Wolf, Quantum theoretical study of electron solvation dynamics in ice layers on a Cu(111) surface, J. Chem. Phys. 122, 234710 (2005), doi:10.1063/1.1940587 .

  14. M. Nest, T. Klamroth, Correlated many-electron dynamics: Application to inelastic electron scattering at a metal film, Phys. Rev. A 72, 012710 (2005), doi:10.1103/PhysRevA.72.012710 .

  15. P. Krause, T. Klamroth, P. Saalfrank, Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide, J. Chem. Phys. 123, 074105 (2005), doi:10.1063/1.1999636 .

  16. T. Klamroth, D. Kröner, P. Saalfrank, Laser-driven coupled electron-nuclear dynamics: Quantum mechanical simulation of molecular photodesorption from metal films, Phys. Rev. B, 72, 205407 (2005), doi:10.1103/PhysRevB.72.205407 .

  17. T. Klamroth, Optimal control of ultrafast laser driven many-electron dynamics in a polyatomic molecule: N-Methyl-6-quinolone, J. Chem. Phys., 124, 144310 (2006), doi:10.1063/1.2185633 .

  18. P. Saalfrank, M. Nest, I. Andrianov, T. Klamroth, D. Kröner, S. Beyvers, Quantum dynamics of laser-induced desorption from metal and semiconductor surfaces, and related phenomena, J. Phys.: Condens. Matter, 18, S1425 (2006), doi:10.1088/0953-8984/18/30/S05 .

  19. G. Füchsel, T. Klamroth, J. Dokic, P. Saalfrank, On the electronic structure of neutral and ionic azobenzenes and their possible role as surface mounted molecular switches, J. Phys. Chem. B, 110, 16337 (2006), doi:10.1021/jp060969v .

  20. D. Kröner, T. Klamroth, M. Nest, P. Saalfrank, Laser-induced charge transfer and photodesorption of Cs at Cu(111): Quantum dynamical model simulations, Appl. Phys. A 88, 535 (2007), doi:10.1007/s00339-007-4071-0 .

  21. P. Tegeder, S. Hagen, F. Leyssner, M.V. Peters, S. Hecht, T. Klamroth, P. Saalfrank, M. Wolf, Electronic structure of the molecular switch tetra-tert-butyl-azobenzene adsorbed on Ag(111), Appl. Phys. A 88, 465 (2007), doi:10.1007/s00339-007-4047-0 .

  22. T. Vazhappilly, S. Beyvers, T. Klamroth, M. Luppi, P. Saalfrank, Vibrationally enhanced associative photodesorption of molecular hydrogen from Ru(0001), Chem. Phys. 338, 299 (2007), doi:10.1016/j.chemphys.2007.04.022 .

  23. T. Schwarze, H. Müller, C. Dosche, T. Klamroth, W. Mickler, A. Kelling, H.-G. Löhmannsröben, P. Saalfrank, H.-J. Holdt, Luminescence detection of open-Shell transition-Metal ions by photoinduced electron transfer controlled by internal charge transfer of a receptor, Angew. Chem. Int. Ed. 46, 1671 (2007), doi:10.1002/anie.200603992 .

  24. P. Krause, T. Klamroth, P. Saalfrank Molecular response properties from explicitly time-dependent configuration interaction methods, J. Chem. Phys. 127, 034107 (2007), doi:10.1063/1.2749503 .

  25. N. Henningsen, K. J. Franke, I. F. Torrente, G. Schulze, B. Priewisch, K. Rück-Braun, J. Dokic T. Klamroth, P. Saalfrank, J. I. Pascual, Inducing the rotation of a single phenyl ring with tunneling electrons, J. Phys. Chem. C 111, 14843 (2007), doi:10.1021/jp0741861 .

  26. P. Saalfrank, T. Vazhappilly, G.K. Paramonov, S. Beyvers, T. Klamroth, Controlling the photodesorption of adspecies from surfaces, Surf. Sci. ,602, 3153 (2008), doi:10.1016/j.susc.2007.07.037 .

  27. D. Kröner, S. Klinkusch, T. Klamroth, Enhanced photo-desorption by vibrational pre-excitation: Quantum model simulations for Cs/Cu(111), Surf. Sci. 602, 3148 (2008), 10.1016/j.susc.2007.04.260 .

  28. P. Krause, T. Klamroth, Dipole switching in large molecules described by explicitly Time-Dependent Configuration Interaction, J. Chem. Phys. 128, 234307 (2008), doi:10.1063/1.2939241 .

  29. K. Zenichowski, T. Klamroth, P. Saalfrank, Open-system density-matrix description of an STM-driven atomic switch: H on Si(100), Appl. Phys. A 93, 319 (2008), doi:10.1007/s00339-008-4833-3 .

  30. J. C. Tremblay, T. Klamroth, P. Saalfrank, Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation, J. Chem. Phys. 129, 084302 (2008), doi:10.1063/1.2972126 .

  31. D. Kröner, B. Klaumünzer, T. Klamroth, From stochastic pulse optimization to a stereoselective laser pulse sequence: Simulation of a chiroptical molecular switch mounted on adamantane, J. Phys. Chem. A 112, 9924 (2008), doi:10.1021/jp804352q .

  32. T. Klamroth, D. Kröner, Stereoselective isomerization of an ensemble of adsorbed molecules with multiple orientations: Stochastic laser pulse optimization for selective switching between achiral and chiral atropisomers, J. Chem. Phys. 129, 234701 (2008), doi:10.1063/1.3036927 .

  33. T. Klamroth, M. Nest, Ultrafast electronic excitations of small sodium clusters and the onset of electron thermalization, Phys. Chem. Chem. Phys. 11, 349 (2009), doi:10.1039/b813619j .

  34. S. Klinkusch, T. Klamroth, P. Saalfrank, Long-range intermolecular charge transfer induced by laser pulses: An explicitly time-dependent configuration interaction approach, Phys. Chem. Chem. Phys. 11 , 3875 (2009), doi:10.1039/b817873a .

  35. T. Vazhappilly, T. Klamroth, P. Saalfrank, R. Hernandez, Femtosecond-laser desorption of H2 (D2) from Ru(0001): Quantum and classical approaches, J. Phys. Chem. C 113, 7790 (2009), doi:10.1021/jp810709k .

  36. F. Kraus, J.C. Aschenbrenner, T. Klamroth, N. Korber, Hydrogen Polyphosphides P3H23- and P3H3 2-: Synthesis and Crystal Structure of K3(P3H2) . 2.3NH3, Rb3(P3H2) . NH3, [Rb(18-crown-6)]2(P3H3) . 7.5NH3, and [Cs(18-crown-6)]2(P3H3) . 7NH3, Inorg. Chem. 48, 1911 (2009), doi:10.1021/ic8014546 .

  37. C. Nacci, S. Fölsch, K. Zenichowski, J. Dokic, T. Klamroth, P. Saalfrank, Current versus temperature-induced switching in a single-molecule tunnel junction: 1,5 cyclooctadiene on Si(001), Nano Lett. 9, 2996 (2009), doi:10.1021/nl901419g .

  38. S. Klinkusch, P. Saalfrank, T. Klamroth, Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory, J. Chem. Phys. 131, 114304 (2009), doi:10.1063/1.3218847 .

  39. T. Schwarze, W. Mickler, C. Dosche, R. Flehr, T. Klamroth, H.-G. Löhmannsröben, P. Saalfrank, H.-J. Holdt Systematic investigation of a photoinduced electron transfer controlled by internal charge transfer and its consequences on selective PdCl2 coordination, Chem. Eur. J. 16, 1819 (2010), doi:10.1002/chem.200902281 .

  40. F. Leyssner, S. Hagen, L. Ovari, J. Dokic, P. Saalfrank, M. V. Peters, S. Hecht, T. Klamroth, P. Tegeder, Photoisomerization ability of molecular switches adsorbed on Au(111): Comparison between azobenzene and stilbene derivatives , J. Phys. Chem. C 114, 1231, (2010), doi:10.1021/jp909684x .

  41. M. Nest, T. Klamroth, P. Saalfrank, Ab initio Electron Dynamics with the Multi-Configuration Time-Dependent Hartree-Fock Method, Z. Phys. Chem. 224, 569, (2010), doi:10.1524/zpch.2010.6124 .

  42. T. Schwarze, C. Dosche, R. Flehr, T. Klamroth, H.-G. Löhmannsröben, P. Saalfrank, E. Cleve, H.-J. Buschmann, H.-J. Holdt, Combination of a CT modulated PET and an intramolecular excimer formation to quantify PdCl2 by large fluorescence enhancement, Chem. Commun. 46, 2034 (2010), doi:10.1039/b919973j .

  43. J. C. Tremblay, P. Krause, T. Klamroth, P. Saalfrank, Time-dependent response of dissipative electron systems, Phys. Rev. A 81, 063420 (2010), doi:10.1103/PhysRevA.81.063420 .

  44. G. Füchsel, T. Klamroth, J.C. Tremblay, P. Saalfrank, Stochastic approach to laser-induced ultrafast dynamics: The desorption of H2/D2 from Ru(0001), Phys. Chem. Chem. Phys. 12 14082 (2010), doi:10.1039/c0cp00895h .

  45. J. C. Tremblay, S. Klinkusch, T. Klamroth, P. Saalfrank, Dissipative many-electron dynamics of ionizing systems, J. Chem. Phys. 134, 044311 (2011), doi:10.1063/1.3532410 .

  46. Ch. Huber, T. Klamroth, Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics, J. Chem. Phys. 134, 054113 (2011), doi:10.1063/1.3530807 .

  47. G. Füchsel, T. Klamroth, S. Monturet, P. Saalfrank, Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001), Phys. Chem. Chem. Phys. 13, 8659 (2011), doi:10.1039/c0cp02086a .

  48. E. Malic, C. Weber, M. Richter, V. Atalla, T. Klamroth, P. Saalfrank, S. Reich, A. Knorr, Microscopic Model of the Optical Absorption of Carbon Nanotubes Functionalized with Molecular Spiropyran Photoswitches, Phys. Rev. Lett. 106, 097401 (2011), 10.1103/PhysRevLett.106.097401 .

  49. J. Wirth, S. Monturet, T. Klamroth, P. Saalfrank, Adsorption and (photo-) electrochemical splitting of water on rutile ruthenium dioxide, Europhysics Letters 93, 68001 (2011), 10.1209/0295-5075/93/68001 .

  50. S. Ast, H. Müller, R. Flehr, T. Klamroth, B. Walz, H.-J. Holdt, High Na+ and K+-induced fluorescence enhancement of a π-conjugated phenylaza-18-crown-6-triazol-substituted coumarin fluoroionophore, Chem. Commun. 47, 4685 (2011), 10.1039/c0cc04370b .

  51. G. Floß, T. Klamroth, P. Saalfrank Laser-controlled switching of molecular arrays in an dissipative environment, Phys. Rev. B 83, 104301 (2011), 10.1103/PhysRevB.83.104301 .

  52. K. Thiel, T. Klamroth, P. Strauch, A. Taubert On the interaction of ascorbic acid and the tetrachlorocuprate ion [CuCl4]2- in CuCl nanoplatelet formation from an ionic liquid precursor (ILP), Phys. Chem. Chem. Phys. 13 , 13537 (2011), 10.1039/c1cp20648f .

  53. R. Farra, K. Thiel, A. Winter, T. Klamroth, A. Pöppl, A. Kelling, U. Schilde, A. Taubert, P. Strauch, Tetrahalidocuprates(II)-structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(II) , New J. Chem. 35, 2793 (2011), 10.1039/c1nj20271e .

  54. M. Utecht, T. Klamroth, P. Saalfrank Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theory Phys. Chem. Chem. Phys. 13, 21608 (2011), 10.1039/c1cp22793a .

  55. G. Füchsel, J. C. Tremblay, T. Klamroth, P. Saalfrank, Selective excitation of molecule-surface vibrations in H2 and D2 dissociatively adsorbed on Ru(0001) , Isr. J. Chem., in press, .

  56. J. Traeger, T. Klamroth, A. Kelling, S. Lubahn, E. Cleve, W. Mickler, M. Heydenreich, H. Müller, H.-J. Holdt, Complexation of Palladium(II) with Unsaturated Dithioethers - A Systematic Development of Highly Selective Ligands for Solvent Extraction, Eur. J. Inorg. Chem., in press, 10.1002/ejic.201101406 .

  57. K. Zenichowski, J. Dokic, T. Klamroth, P. Saalfrank, Current versus temperature-induced switching of a single molecule: Open-system density matrix theory for 1,5-cyclooctadiene on Si(100), J. Chem. Phys. 136, 094705 (2012), 10.1063/1.3692229 .

  58. K. Zenichowski, Ch. Nacci, S. Fölsch, J. Dokic, T. Klamroth, P. Saalfrank, STM-switching of organic molecules on semiconductor surfaces: an above threshold density matrix model for 1,5 cyclooctadiene on Si(100), J. Phys.: Condens. Matter, accepted, .

Other publications

  1. T. Klamroth, Quantum dynamics of atoms and electrons at non rigid solid surfaces, Dissertation, FU-Berlin (2000).

  2. Book review in Nachrichten aus der Chemie 5/2003, p. 573, about Theoretical Surface Science: A Microscopic Perspective, Axel Groß, Springer, Heidelberg 2003.

  3. Ch. Frischkorn, M. Wolf, U. Höfer, J. Güdde, P. Saalfrank, M. Nest, T. Klamroth, F. Willig, R. Ernsdorfer, L. Gundlach, V. May, L. Wang, W.R. Duncan, O.V. Prezhdo, Ultrafast dynamics of photoinduced processes at surfaces and interfaces, Chapter 5 in Analysis and Control of Ultrafast Photoinduced Reactions, O. Kühn, L. Wöste, eds., Springer Series in Chemical Physics, Vol. 87, Springer, Heidelberg (2007).

  4. T. Klamroth, Quantum mechanical simulations for correlated many-electron dynamics and electron induced processes at surfaces, Habilitation, University Potsdam (2007).

  5. P. Saalfrank, T. Klamroth, T. Vazhappilly, R. Hernandez, Theory of femtochemistry at metal surfaces: Associative molecular photodesorption as a case study, in Dynamics at solid state surfaces and interfaces: Current Developments, Volume 1 edited by U. Bovensiepen, H. Petek, M. Wolf (Wiley-VCH, 2010) ISBN-13: 978-3-527-40937-2, link .