Recent PUBLICATIONS

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List of publications

2014

  1. Impact of Mesoscale Order on Open-Circuit Voltage in Organic Solar Cells
    C. Poelking, M. Tietze, C. Elschner, S. Olthof, D. Hertel, B. Baumeier, F. Würthner, K. Meerholz, K. Leo, and D. Andrienko
    Nat. Mater. in print (2014), [doi]

  1. Electronic excitations in push-pull oligomers and their complexes with fullerene from many-body Green's functions theory with polarizable embedding
    B. Baumeier, M. Rohlfing, D. Andrienko
    J. Chem. Theory Comput. 10, 3104 (2014), [doi]

  1. Parametrization of extended Gaussian disorder models from microscopic charge transport simulations
    P. Kordt, O. Stenzel, B. Baumeier, V. Schmidt, D. Andrienko
    J. Chem. Theory Comput. 10, 2508 (2014), [doi]

  1. A general framework for consistent estimation of charge transport properties via random walks in random environments
    O. Stenzel, C. Hirsch, T, Brereton, B. Baumeier, D. Andrienko, D. Kroese, V. Schmidt
    Multiscale Model. Simul., 12 , 1108 (2014), [doi] [pdf]

  1. Two Channels of Charge Generation in Perylene Monoimide Solid-State Dye-Sensitized Solar Cells
    M. Meister, I. Howard, B. Baumeier, H. Wonneberger, N. Pschirer, R. Sens, I. Bruder, C. Li, K. Müllen, D. Andrienko, F. Laquai
    Adv. Energy Mater. 4, 1300640 (2014), [doi]

  1. Efficient simulation of Markov Chains using Segmentation
    T. Brereton, O. Stenzel, B. Baumeier, D. Andrienko, V. Schmidt, D. Kroese
    Methodol. Comput. Appl. Probab. 16, 465 (2014), [doi]

2013

  1. Observing Charge Dynamics in Surface Reactions by Time-Resolved Stark Effects
    M. Meister, B. Baumeier, N. Pschirer, R. Sens, I. Bruder, F. Laquai, D. Andrienko, I. Howard
    J. Phys. Chem. C 117, 9171 (2013), [doi]

2012

  1. Design rules for charge-transport efficient host materials for phosphorescent OLEDs
    F. May, M. Al-Helwi, B. Baumeier, W. Kowalsky, E. Fuchs, C. Lennartz, D. Andrienko
    J. Am. Chem. Soc. 134, 13818-13822 (2012), [doi]

  1. Stochastic modeling of molecular charge transport networks
    B. Baumeier, O. Stenzel, C. Poelking, D. Andrienko, V. Schmidt
    Phys. Rev. B 86, 184202 (2012), [doi]

  1. Frenkel and charge-transfer excitations in donor-acceptor complexes from many-body Green’s functions theory
    B. Baumeier, D. Andrienko, M. Rohlfing
    J. Chem. Theory Comput. 8, 2790-2795 (2012), [doi]

  1. Efficient simulation of charge transport in deep-trap media
    T. Brereton, D. P. Kroese, O. Stenzel, V. Schmidt, B. Baumeier
    Proceedings of the 2012 Winter Simulation Conference (Berlin, Germany), 230 (2012), [pdf]

  1. Can lattice models predict density of states of amorphous organic semiconductors?
    F. May, B. Baumeier, C. Lennartz, D. Andrienko
    Phys. Rev. Lett. 109, 136401 (2012), [doi]

  1. Excited states of dicyanovinyl-substituted oligothiophenes from many-body Green's functions theory
    B. Baumeier, D. Andrienko, Y. Ma, M. Rohlfing
    J. Chem. Theory Comput. 8, 997-1002 (2012), [doi]

  1. Challenges for in silico design of organic semiconductors
    B. Baumeier, F. May, C. Lennartz, D. Andrienko
    J. Mater. Chem. 22, 10971-10976 (2012), [doi]

  1. Comparative study of microscopic charge dynamics in crystalline acceptor-substituted oligothiophenes
    M. Schrader, R. Fitzner, M. Hein, C. Elschner, B. Baumeier, M. Riede, K. Leo, P. Baeuerle, D. Andrienko
    J. Am. Chem. Soc. 134, 6052-6056 (2012), [doi]

2011

  1. Toward quantitative structure-property relationships for charge transfer rates of polycyclic aromatic hydrocarbons
    M. Misra, D. Andrienko, B. Baumeier, J.-L. Faulon, O. A. von Lilienfeld
    J. Chem. Theory Comput. 7, 2549-2555 (2011), [doi]

  1. Microscopic simulations of charge transport in disordered organic semiconductors
    V. Ruehle, A. Lukyanov, F. May, M. Schrader, T. Vehoff, J. Kirkpatrick, B. Baumeier, D. Andrienko
    J. Chem. Theory Comput. 7, 3335-3345 (2011), [doi]

  1. Scattering of surface-plasmon polaritons by a localized dielectric surface defect studied using an effective boundary condition
    B. Baumeier, F. Huerkamp, T. A. Leskova, A. A. Maradudin
    Phys. Rev. A 84, 013810 (2011). [doi]

  1. The Goos-Hänchen effect for surface plasmon polaritons
    F. Huerkamp, T. A. Leskova, A. A. Maradudin, B. Baumeier
    Opt. Express 19, 15483 (2011), [doi]

2010

  1. Density-functional based determination of intermolecular charge transfer properties for large-scale morphologies, B. Baumeier, J. Kirkpatrick, D. Andrienko
    Phys. Chem. Chem. Phys. 12, 11103-11113 (2010), [doi]

  1. Charge transport in organic crystals: role of disorder and topological connectivity
    T. Vehoff, B. Baumeier, A. Troisi, D. Andrienko
    J. Am. Chem. Soc. 132, 11702-11708 (2010), [doi]

  1. Charge transport in columnar mesophases of carbazole macrocycles
    T. Vehoff, B. Baumeier, D. Andrienko
    J. Chem. Phys. 133, 134901 (2010), [doi]

2009

  1. Cloaking from Surface Plasmon Polaritons by a Circular Array of Point Scatterers
    B. Baumeier, T. A. Leskova, A. A. Maradudin
    Phys. Rev. Lett. 103, 246803 (2009), [doi]

  1. Self-interaction corrections to density-functional theory for solids, surfaces, and nanotubes
    B. Baumeier
    PhD thesis, Westfälische Wilhelms-Universität Münster (2009), [pdf]

2008

  1. First-principles investigation of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface
    P. Krüger, B. Baumeier, J. Pollmann
    Phys. Rev. B 77, 085329 (2008), [doi]

  1. Electronic structure of alkali-metal fluorides, oxides and nitrides: Density-functional calculations including self-interaction corrections
    B. Baumeier, P. Krüger, J. Pollmann, G. V. Vajenine
    Phys. Rev. B 78, 125111 (2008), [doi]

  1. First-principles investigation of the atomic and electronic structure of the 4H-SiC(1-102)-c(2x2) surface
    B. Baumeier, P. Krüger, J. Pollmann
    Phys. Rev. B 78, 245318 (2008), [doi]

2007

  1. Atomic and electronic structure of BeO and the BeO(10-10) surface: An ab initio investigation
    B. Baumeier, P. Krüger, J. Pollmann
    Phys. Rev. B 75, 045323 (2007), [doi]

  1. Bulk and surface electronic structures of alkaline-earth metal oxides: Bound surface and image-potential states from first principles
    B. Baumeier, P. Krüger, J. Pollmann
    Phys. Rev. B 76, 205404 (2007), [doi]

  1. Structural, elastic, and electronic properties of SiC, BN, and BeO nanotubes
    B. Baumeier, P. Krüger, J. Pollmann
    Phys. Rev. B 76, 085407 (2007), [doi]

2006

  1. Transmission of light through a thin metal film with periodically and randomly corrugated surfaces
    B. Baumeier, T. A. Leskova, A. A. Maradudin
    J.Opt. A: Pure Appl. Opt. 8, S191 (2006), [doi]

  1. Self-interaction-corrected pseudopotentials for silicon carbide
    B. Baumeier, P. Krüger, J. Pollmann
    Phys. Rev. B 73, 195205 (2006), [doi]

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