Publikationen
| 96. | K. Merkel and F. Ortmann "Linear Scaling Approach for Optical Excitations Using Maximally Localized Wannier Functions" J. Phys. Mater. 7, 015001 (2024). | |
| 95. | K. Müller, K. S. Schellhammer, N. Gräßler, B. Debnath, F. Liu, Y. Krupskaya, K. Leo, M. Knupfer, F. Ortmann "Directed exciton transport highways in organic semiconductors" Nat. Commun. 14, 5599 (2023). | |
| 94. | S. J. Wang, S. Hutsch, F. Talnack, M. Deconinck, S. Huang, Z. Zhang A.-L. Hofmann, H. Thiersch, H. Kleemann, Y. Vaynzof, S. C. B. Mannsfeld, F. Ortmann, and K. Leo "Band Structure Engineering in Highly Crystalline Organic Semiconductors" Chem. Mater. 35, 18, 7867 (2023). | |
| 93. | M. Panhans, S. Hutsch and F. Ortmann “Insight on charge-transfer regimes in electron-phonon coupled molecular systems via numerically exact simulations“ Comms. Phys. 6, 125 (2023) | |
| 92. | J. Matysik, L. Gerhards, T. Theiss, L. Timmermann, P. Kurle-Tucholski, G. Musabirova, R. Qin, F. Ortmann, I. A. Solov’yov, T. Gulder "Spin-dynamics of Flavoproteins" Int. J. Mol. Sci. 24, 8218 (2023). | |
| 91. | R. Matsidik, H. Komber, M. Brinkmann, K. S. Schellhammer, F. Ortmann, and M. Sommer "Evolution of Length-Dependent Properties of Discrete n‑Type Oligomers Prepared via Scalable Direct Arylation" J. Am. Chem. Soc. 145, 8430 (2023). | |
| 90. | K. Merkel, J. Greiner, and F. Ortmann "Understanding the electronic pi-system of 2D covalent organic frameworks with Wannier functions" Sci. Rep. 13, 1685 (2023). | |
| 89. | S. Hutsch, M. Panhans, F. Ortmann “Charge carrier mobilities of organic semiconductors: ab initio simulations with mode-specific treatment of molecular vibrations“ npj Comput. Mater. 8, 228 (2022). | |
| 88. | J. Lenz, M. Statz, K. Watanabe, T. Taniguchi, F. Ortmann, and R. T. Weitz “Charge transport in single polymer fiber transistors in the sub 100 nm regime: temperature dependence and Coulomb blockade” J. Phys. Mater. 6, 015001 (2022). | |
| 87. | K. Merkel, M. Panhans S. Hutsch, and F. Ortmann “Interplay of band occupation, localization, and polaron renormalization for electron transport in molecular crystals: Naphthalene as a case study” Phys. Rev. B 105, 165136 (2022). | |
| 86. | M. F. X. Dorfner, S. Hutsch, R. Borrelli, M. Gelin, and F. Ortmann “Ultra fast carrier dynamics at organic donor-acceptor interfaces - A quantum-based assessment of the hopping model” J. Phys. Mater. 5, 024001 (2022).. | |
| 85. | F. Talnack, S. Hutsch, M. Bretschneider, Y. Krupskaya, B. Büchner, M. Malfois, M. Hambsch, F. Ortmann, S. C. B. Mannsfeld “Thermal behavior and polymorphism of 2,9 didecyldinaphtho[2,3 b:2′,3′ f]thieno[3,2 b]thiophene thin films” Mol. Syst. Des. Eng. 7, 507 (2022). | |
| 84. | S.-J. Wang, M. Panhans, I. Lashkov, H. Kleemann, F. Caglieris, D. Becker-Koch, J. Vahland, E. Guo, S. Huang, Y. Krupskaya, Y. Vaynzof, B. Büchner, F. Ortmann and K. Leo “Highly efficient modulation doping: A path towards superior organic thermoelectric devices” Sci. Adv. 8, eabl9264 (2022). | |
| 83. | S. Hutsch, M. Panhans, and F. Ortmann "Time-consistent hopping transport with vibration-mode-resolved electron-phonon couplings" Phys. Rev. B. 104, 054306 (2021). | |
| 82. | R. Shivhare, G. J. Moore, A. Hofacker, S. Hutsch, Y. Zhong, M. Hambsch, T. Erdmann, A. Kiriy, S. C. B. Mannsfeld, F. Ortmann, N. Banerji "Short Excited-State Lifetimes Mediate Charge-Recombination Losses in Organic Solar Cell Blends with Low Charge-Transfer Driving Force" Adv. Mater. 2101784 (2021) | |
| 81. | M. Panhans and F. Ortmann "Efficient Time-Domain Approach for Linear Response Functions" Phys. Rev. Lett. 127, 016601 (2021). | |
| 80. | N. Shin, K.S. Schellhammer, M. H. Lee, J. Zessin, M. Hambsch, A. Salleo, F. Ortmann, S. C. B. Mannsfeld "Electronic Doping and Enhancement of n-Channel Polycrystalline OFET Performance through Gate Oxide Modifications with Aminosilanes" Adv. Mater. Interfaces 8, 2100320 (2021) | |
| 79. | K. Ortstein, S. Hutsch, M. Hambsch, K. Tvingstedt, B. Wegner, J. Benduhn, J. Kublitski, M. Schwarze, S. Schellhammer, F. Talnack, A. Vogt, P. Bäuerle, N. Koch, S. C. B. Mannsfeld, H. Kleemann, F. Ortmann, K. Leo "Band gap engineering in blended organic semiconductor films based on dielectric interactions" Nat. Mater. 20, 1407 (2021).) | |
| 78. | M. R. Ajayakumar, Ji Ma, A. Lucotti, K. S. Schellhammer, G. Serra, E. Dmitrieva, M. Rosenkranz, H. Komber, J. Liu, F. Ortmann, M. Tommasini, and X. Feng "Persistent peri-Heptacene: Synthesis and In-Situ Characterization" Angew. Chem. Int. Ed. 60, 13853 (2021). | |
| 77. | K. S. Schellhammer, G. Cuniberti, and F. Ortmann "Investigating a Combined Stochastic Nucleation and Molecular Dynamics-Based Equilibration Approach for Constructing Large-Scale Polycrystalline Films" J. Chem. Theory Comput., 17, 2, 1266 (2021). | |
| 76. | D. Adamczak, A. Perinot, H. Komber, A. Illy, S. Hultmark, B. Passarella, W. Liang Tan, S. Hutsch, D. Becker-Koch, C. Rapley, A. D. Scaccabarozzi, M. Heeney, Y. Vaynzof, F. Ortmann, C. R. McNeill, C. Müller, M. Caironi, and M. Sommer "Influence of synthetic pathway, molecular weight and side chains on properties of Indacenodithiophene-benzothiadiazole copolymers made by direct arylation polycondensation" J. Mater. Chem. C, 9, 4597 (2021). | |
| 75. | Z. Fan, J. H. Garcia, A. W. Cummings, J. E. Barrios-Vargas, M. Panhans, A. Harju, F. Ortmann and S. Roche "Linear scaling quantum transport methodologies" Phys. Rep. 903, 1 (2021). |
| 74. | S. Okano, A. Sharma, F. Ortmann, A. Nishimura, C. Günther, O. D. Gordan, K. Ikushima, V. Dzhagan, G. Salvan, and D. R. T. Zahn "Voltage-Controlled Dielectric Function of Bilayer Graphene" Adv. Opt. Mater. (2020). |
| 73. | K. Ortstein, S. Hutsch, A. Hinderhofer, J. Vahland, M. Schwarze, S. Schellhammer, M. Hodas, T. Geiger, H. Kleemann, H. F. Bettinger, F. Schreiber, F. Ortmann, and K. Leo, "Energy Level Engineering in Organic Thin Films by Tailored Halogenation" Adv. Funct. Mater. 2002987 (2020). |
| 72. | M. Panhans, S. Hutsch, J. Benduhn, K.S. Schellhammer, V. C. Nikolis, T. Vangerven, K. Vandewal and F. Ortmann "Molecular vibrations reduce the maximum achievable photovoltage in organic solar cells" Nat. Commun. 11, 1488 (2020). |
| 71. | Y. Zhong, M. Causa, G. J. Moore, P. Krauspe, B. Xiao, F. Günther, J. Kublitski, R. Shivhare, J. Benduhn, E. BarOr, S. Mukherjee, K. M. Yallum, J. Réhault, S. C. B. Mannsfeld, D. Neher, L. J. Richter, D. M. DeLongchamp, F. Ortmann, K. Vandewal, E. Zhou, N. Banerji "Sub-picosecond charge-transfer at near-zero driving force in polymer: non-fullerene acceptor blends and bilayers" Nat. Commun. 11, 833 (2020). |
| 70. | A. Atxabal, T. Arnold, S. Parui, S. Hutsch, E. Zuccatti, R. Llopis, M. Cinchetti, F. Casanova, F. Ortmann and L. E. Hueso “Tuning the charge flow between Marcus regimes in an organic thin-film device” Nat. Commun. 10, 2089 (2019). |
| 69. | A. Atxabal, T. Arnold, S. Parui, E. Zuccatti, M. Cinchetti, F. Casanova, F. Ortmann and L. E. Hueso “Molecular spectroscopy in a solid-state device” Mater. Horiz. 6,1663 (2019). |
| 68. | J. Ma, K. Zhang, K. S. Schellhammer, Y. Fu, H. Komber, C. Xu, A. A. Popov, F. Hennersdorf, J. J. Weigand, S. Zhou, W. Pisula, F. Ortmann, R. Berger, J. Liu and X. Feng “Wave-shaped polycyclic hydrocarbons with controlled aromaticity” Chem. Sci., 10, 4025 (2019). |
| 67. | M. Schwarze, C. Gaul, R. Scholz, F. Bussolotti, A. Hofacker, K. S. Schellhammer, B. Nell, B. D. Naab, Z. Bao, D. Spoltore, K. Vandewal, J. Widmer, S. Kera, N. Ueno, F. Ortmann and K. Leo, “Molecular parameters responsible for thermally activated transport in doped organic semiconductors” Nat. Mater. 18, 242 (2019). |
| 66. | C. Gaul, S. Hutsch, M. Schwarze, K. S. Schellhammer, F. Bussolotti, S. Kera, G. Cuniberti, K. Leo, and F. Ortmann "Insight into doping efficiency of organic semiconductors from the analysis of the density of states in n-doped C60 and ZnPc" Nat. Mater. 17, 439 (2018). |
| 65. | T. Arnold, A. Atxabal, S. Parui, L. E. Hueso, and F. Ortmann "Hot Electrons and Hot Spins at Metal-Organic Interfaces", Adv. Funct. Mater. 28, 1706105 (2018). |
| 64. | D. Spoltore, A. Hofacker, J. Benduhn, S. Ullbrich, M. Nyman, O. Zeika, S. Schellhammer, Y. Fan, I. Ramirez, S. Barlow, M. Riede, S. R. Marder, F. Ortmann, and K. Vandewal "Hole Transport in Low-Donor-Content Organic Solar Cells" J. Phys. Chem. Lett., 9, 5496 (2018). |
| 63. | P. Ordejón, D. Boskovic, M. Panhans, and F. Ortmann "Ab initio study of electron-phonon coupling in rubrene" Phys. Rev. B 96, 035202 (2017). |
| 62. | K. Vandewal, J. Benduhn, K. S. Schellhammer, T. Vangerven, J. E. Rückert, F. Piersimoni, R. Scholz, O. Zeika, Y. Fan, S. Barlow, D. Neher, S. R Marder, J. Manca, D. Spoltore, G. Cuniberti, and F. Ortmann "Absorption Tails of Donor: C60 Blends Provide Insight into Thermally Activated Charge-Transfer Processes and Polaron Relaxation" J. Am. Chem. Soc. 139, 1699 (2017). |
| 61. | A. Atxabal, S. Braun, T. Arnold, X. Sun, S. Parui, X. Liu, C. Gozalvez, R. Llopis, A. Mateo-Alonso, F. Casanova, F. Ortmann, M. Fahlman, and L. E. Hueso "Energy Level Alignment at Metal/Solution-Processed Organic Semiconductor Interfaces" Adv. Mater. 29, 1606901 (2017). |
| 60. | C. Yang, K. S. Schellhammer, F. Ortmann, S. Sun, R. Dong, M. Karakus, Z. Mics, M. Löffler, F. Zhang, X. Zhuang, E. Cánovas, G. Cuniberti, M. Bonn, and X. Feng "Coordination Polymer Framework-Based On-Chip Micro-Supercapacitors with AC Line-Filtering Performance" Angew. Chem. Int. Ed. 56, 3920 (2017). |
| 59. | J. Ma, J. Liu, M. Baumgarten, Y. Fu, Y.-Z. Tan, K. S. Schellhammer, F. Ortmann, G. Cuniberti, H. Komber, R. Berger, K. Müllen, and X. Feng "A Stable Saddle-Shaped Polycyclic Hydrocarbon with Open-shell Singlet Ground State" Angew. Chem. Int. Ed. 56, 3280 (2017). |
| 58. | K. S.Schellhammer, T.-Y. Li, O. Zeika, C. Körner, K. Leo, F. Ortmann, G. Cuniberti, "Tuning Near-Infrared Absorbing Donor Materials: A Study of Electronic, Optical, and Charge-Transport Properties of aza-BODIPYs" , Chem. Mater. 29, 5525-5536 (2017). |
| 57. | M. Richter, K. S. Schellhammer, P. Machata, G. Cuniberti, A. Popov, F. Ortmann, R. Berger, K. Müllen, X. Feng "Polycyclic heteroaromatic hydrocarbons containing a benzoisoindole core" Org. Chem. Front. 4, 847 (2017). |
| 56. | A. Lücke, F. Ortmann, M. Panhans, S. Sanna, E. Rauls, U. Gerstmann, W. G. Schmidt, “Temperature Dependent Hole Mobility and its Limit in Crystal-Phase P3HT Calculated from First Principles” J. Phys. Chem. B, 120, 5572 (2016). |
| 55. | X. Wang, F. Zhang, K. S. Schellhammer, P. Machata, F. Ortmann, G. Cuniberti, Y. Fu, J. Hunger, R. Tang, A. A. Popov, R. Berger, K. Müllen, X. Feng, “Synthesis of NBN-Type Zigzag-Edged Polycyclic Aromatic Hydrocarbons: 1,9-Diaza-9a-boraphenalene as a Structural Motif” J. Am. Chem Soc. 138, 11606 (2016). |
| 54. | M. Lorenz-Rothe, K. S. Schellhammer, T. Jägeler-Hoheisel, R. Meerheim, S. Kraner, M. P. Hein, C. Schünemann, M. L. Tietze, M. Hummert, F. Ortmann*, G. Cuniberti, C. Körner, K. Leo “From Fluorine to Fluorene – A Route to Thermally Stable aza-BODIPYs for Organic Solar Cell Application” Adv. Electron. Mater. 2 1600152 (2016). |
| 53. | D. V. Tuan, F. Ortmann, A. W. Cummings, D. Soriano, S. Roche, “Spin Dynamics and Relaxation in Graphene Dictated by Electron-hole Puddles” Sci. Rep. 6, 21046 (2016). |
| 52. | N. Leconte, F. Ortmann, A. Cresti, S. Roche, “Unconventional Features in the Quantum Hall Regime of Disordered Graphene: Percolating Impurity States and Hall Conductance Quantization” Phys. Rev. B 93, 115404 (2016). |
| 51. | F. Ortmann, S. Roche and S. O. Valenzuela (Eds.) “Topological Insulators: Fundamentals and Perspectives” Wiley-VCH Weinheim, Germany (2015). |
| 50. | F. Ortmann, S. Roche and S. O. Valenzuela, “Quantum Spin Hall Effect and Topological Insulators” in “Topological Insulators: Fundamentals and Perspectives”, p.1-10. |
| 49. | F. Ortmann, N. Leconte, and S. Roche “Efficient Linear Scaling Approach for Computing the Kubo Hall Conductivity” Phys. Rev. B 91, 165117 (2015). |
| 48. | A. Lücke, W. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT” J. Phys. Chem. 119, 6481 (2015). |
| 47. | S. Kraner, J. Widmer, J. Benduhn, E. Hieckmann, T. Jägeler‐Hoheisel, S. Ullbrich, D. Schütze, K. S. Radke, G. Cuniberti, F. Ortmann, M. Lorenz‐Rothe, R. Meerheim, D. Spoltore, K. Vandewal, C. Koerner, and K. Leo “Influence of side groups on the performance of infrared absorbing aza-BODIPY organic solar cells” Phys. Stat. Sol. A 212, 2747 (2015). |
| 46. | H. Quang, A. Bachmatiuk, A. Dianat, F. Ortmann, J. Zhao, J. Warner, J. Eckert, G. Cuniberti, M. Rümmeli, “In-Situ Formation of Free-Standing Graphene-like Mono- and Bi- layer ZnO Membranes” ACS Nano 9, 11408 (2015). |
| 45. | F. Ortmann, K. S. Radke, A. Günther, D. Kasemann, K. Leo, and G. Cuniberti “Materials Meets Concepts in Molecule-based Electronics” Adv. Funct. Mater. 25, 1933 (2015). |
| 44. | D. Soriano, D. Van Tuan, S. M.-M. Dubois, M. Gmitra, A. W. Cummings, D. Kochan, F. Ortmann, J.-C. Charlier, J. Fabian and S. Roche “Spin transport in hydrogenated graphene” 2D Mater 2, 022002 (2015). |
| 43. | D. Van Tuan, F. Ortmann, D. Soriano, S. O. Valenzuela, and S. Roche “Spin-Pseudospin Entanglement and Spin Relaxation in Graphene” Nature Phys. 10, 857–863 (2014). |
| 42. | A. Bachmatiuk, A. Dianat, F. Ortmann, H. Ta Quang, M. Cichocka, I. Gonzalez-Martinez, L. Fu, B. Rellinghaus, J. Eckert, G. Cuniberti, and M. H. Rümmeli “Graphene coatings for the mitigation of electron induced desorption and fullerene cap formation from flakes” Chem. Mater. 26, 4998 (2014). |
| 41. | N. Leconte, S. Roche, F. Ortmann, A. Cresti, and J.-C. Charlier, “Quantum transport in chemically functionalized graphene at high magnetic field: defect-induced critical states and breakdown of electron-hole symmetry” 2D Materials 1, 021001 (2014). |
| 40. | K. S. Radke, R. Scholz, F. Ortmann, K. Leo, and G. Cuniberti “Dynamic Effects on the Charge Transport in an Organic Near-Infrared Absorber Material” J. Phys. Chem. C 118, 6537 (2014). |
| 39. | R. Martinez-Gordillo, S. Roche, F. Ortmann, and M. Pruneda “Transport Fingerprints at Graphene Superlattice Dirac Points Induced by Boron-Nitride Substrate” Phys. Rev. B 89, 161401(R) (2014). |
| 38. | K.S. Radke, F. Ortmann, and G. Cuniberti “Concepts and Modeling for Charge Transport in Organic Electronic Materials” in “Supramolecular Materials for Opto-Electronics” Ed.: N. Koch, RSC Publishing (2014). |
| 37. | F. Ortmann and S. Roche “Splitting of the Zero-Energy Landau Level and Universal Dissipative Conductivity at Critical Points in Disordered Graphene” Phys. Rev. Lett. 110, 086602 (2013). |
| 36. | A. Cresti, F. Ortmann, T. Louvet, D. Van Tuan, and S. Roche “Broken Symmetries, Zero- Energy Modes and Quantum Transport in Disordered Graphene: From Supermetallic to Insulating Regimes” Phys. Rev. Lett. 110, 196601 (2013). |
| 35. | A. Cresti, T. Louvet, F. Ortmann, D. Van Tuan, P. Lenarczyk, G. Huhs, and S. Roche “Impact of Vacancies on Diffusive and Pseudodiffusive ElectronicTransport in Graphene” Crystals 3, 289 (2013). |
| 34. | D. Van Tuan, J. Kotakoski, T. Louvet, F. Ortmann, J. Meyer, S. Roche “Scaling Properties for Charge Transport in Polycrystalline Graphene” Nano Lett. 13, 1730 (2013). |
| 33. | F. Ortmann and S. Roche “Multiscale Transport methods for exploring nanomaterials and nanodevices” in “Multiscale Modelling Methods for Applications in Materials Science” Eds.: I. Kondov and G. Sutmann, Forschungszentrum Jülich, Germany, IAS Series Volume 19 (2013). |
| 32. | D. Soriano*, F. Ortmann*, and S. Roche “Three-Dimensional Models of Topological Insulators: Engineering of Dirac Cones and Robustness of the Spin Texture” Phys. Rev. Lett. 109, 266805 (2012). (*equal author contribution) |
| 31. | D. Van Tuan, A. Kumar, S. Roche, F. Ortmann, M. F. Thorpe, and P. Ordejon “Insulating Behaviour of an Amorphous Graphene Membrane” Phys. Rev. B Rapid Communication 86, 121408(R) (2012). |
| 30. | S. Roche, N. Leconte, F. Ortmann, A. Lherbier, D. Soriano, and J.-C. Charlier “Quantum Transport in Disordered Graphene: A Theoretical Perspective” Sol. State Comm. 152, 1404–1410 (2012). |
| 29. | B. Oetzel, F. Ortmann, L. Matthes, F. Tandetzky, F. Bechstedt, and K. Hannewald “Large bandwidths in synthetic one-dimensional stacks of biological molecules” Phys. Rev. B, 86, 195407 (2012). |
| 28. | F. Ortmann, S. Roche, J. C. Greer, G. Huhs, X. Oriols, T. Shulthess, T. Deutsch, P. Weinberger, M. Payne, J. M. Sellier, J. Sprekels, J. Weinbub, K. Rupp, M. Nedjalkov, D. Vasileska, E. Alfinito, L. Reggiani, D. Guerra, D. K. Ferry, M. Saraniti, S. M. Goodnick, A. Kloes, L. Colombo, K. Lilja, J. Mateos, T. Gonzalez, E. Velazquez, P. Palestri, A. Schenk, and M. Macucci "Multi-scale Modeling for Devices and Circuits" in: E-Nano Newsletter Special Issue, April 2012 (2012). |
| 27. | F. Ortmann, and S. Roche “Charge Transport in Organic Crystals: Temperature Tuning of Disorder Effects” Phys. Rev. B Rapid Communication 84, 180302(R) (2011). |
| 26. | F. Ortmann, A. Cresti, G. Montambaux, and S. Roche “Magnetoresistance in Disordered Graphene: The Role of Pseudospin and Dimensionality Effects Unraveled” EPL 94, 47006 (2011). |
| 25. | S. Roche, F. Ortmann, A. Cresti, B. Biel, and D. Jimenez “Quantum Transport in Graphene-Based Materials and Devices: From Pseudospin Effects to a New Switching Principle” in “Graphene Synthesis and Applications” Eds.: W. Choi and J. Lee, Taylor and Francis Books/CRC Press (2011). |
| 24. | M. H. Rümmeli, C. G. Rocha, F. Ortmann, I. Ibrahim, H. Sevincli, F. Börrnert, J. Kunstmann, A. Bachmatiuk, M. Pötschke, M. Shiraishi, M. Meyyappan, B. Büchner, S. Roche and G. Cuniberti “Graphene: Piecing it Together” Adv. Mater. 23, 4471 (2011). |
| 23. | F. Ortmann, F. Bechstedt, and K. Hannewald “Charge transport in organic crystals: Theory and modeling” Phys. Stat. Sol. B 248, 511 (2011). |
| 22. | F. Ortmann, F. Bechstedt, and K. Hannewald “Charge Transport in Organic Crystals: Interplay of Band Transport, Hopping, and Electron-Phonon Scattering” New J. Phys. 12, 023011 (2010). |
| 21. | B. Höffling, F. Ortmann, K. Hannewald, and F. Bechstedt “Cysteine Adsorption on Au(110): A First-Principles Study” Phys. Rev. B 81, 045407 (2010). |
| 20. | U. Treske, F. Ortmann, B. Oetzel, K. Hannewald, and F. Bechstedt “Electronic and Transport Properties of Graphene Nanoribbons” Phys. Stat. Sol. A 207, 304 (2010). |
| 19. | F. Ortmann, F. Bechstedt, and K. Hannewald “Characteristics of small and large polaron motion in organic crystals” J. Phys. Cond. Mat. 22, 465802 (2010). |
| 18. | B. Höffling, F. Ortmann, K. Hannewald, and F. Bechstedt “Interface with Organic Molecules: Cysteine on Au(110)” Phys. Stat. Sol. C 7, 149 (2010). |
| 17. | F. Ortmann, L. Matthes, B. Oetzel, F. Bechstedt, and K. Hannewald "Charge Carrier Transport Through Guanine Crystals and Stacks" in: High Performance Computing in Science and Engineering, Garching/Munich 2009, (Springer, Berlin 2010), p. 529. |
| 16. | B. Höffling, F. Ortmann, K. Hannewald, and F. Bechstedt "Adsorption of Cysteine on the Au(110)-surface: A Density Functional Theory Study" in: High Performance Computing in Science and Engineering ‘09, (Springer, Berlin 2010), p. 53. |
| 15. | F. Ortmann, F. Bechstedt, and K. Hannewald “Theory of charge transport in organic crystals: Beyond Holstein’s small-polaron model” Phys. Rev. B 79, 235206 (2009). |
| 14. | F. Ortmann, M. Preuss, B. Oetzel, K. Hannewald, and F. Bechstedt "Charge Transport through Guanine Crystals" in: High Performance Computing in Science and Engineering, Garching/Munich 2007, p. 687 (2009). |
| 13. | S. Blankenburg, F. Ortmann, and W. G. Schmidt "Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer" in: High Performance Computing in Science and Engineering, Garching/Munich 2007, p. 641 (2009). |
| 12. | F. Ortmann, K. Hannewald, and F. Bechstedt “Charge Transport in Guanine-Based Materials” J. Phys. Chem. B 113, 7367 (2009). |
| 11. | R. Leitsmann, F. Ortmann, F. Bechstedt “Quantum confined Stark effect in embedded PbTe nanocrystals” in: High Performance Computing in Science and Engineering ‘08 (Springer, Berlin 2009), p. 59. |
| 10. | F. Ortmann, K. Hannewald, and F. Bechstedt “Ab initio description and visualization of charge transport in durene crystals” Appl. Phys. Lett. 93, 222105 (2008). |
| 9. | B. Oetzel, M. Preuss, F. Ortmann, K. Hannewald, and F. Bechstedt “Quantum transport through nanowires: Ab initio studies using plane waves and supercells” Phys. Stat. Sol. B 245, 854 (2008). |
| 8. | F. Ortmann, K. Hannewald, and F. Bechstedt “Electronic properties of durene crystals: Implications for charge transport” Phys. Stat. Sol. B 245, 825 (2008). |
| 7. | F. Ortmann, K. Hannewald, and F. Bechstedt “Guanine Crystals: A First Principles Study” J. Phys. Chem. B 112, 1540 (2008). |
| 6. | R. Maul, F. Ortmann, M. Preuss, K. Hannewald, and F. Bechstedt “DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine” J. Comput. Chem. 28, 1817 (2007). |
| 5. | F. Ortmann, K. Hannewald, and F. Bechstedt “Ab initio studies of structural, vibrational, and electronic properties of durene crystals and molecules” Phys. Rev. B 75, 195219 (2007). |
| 4. | R. Maul, M. Preuss, F. Ortmann, K. Hannewald, and F. Bechstedt “Electronic Excitations of Glycine, Alanine, and Cysteine Conformers from First-Principles Calculations” J. Phys. Chem. A 111, 4370 (2007). |
| 3. | F. Ortmann, F. Bechstedt, and W. G. Schmidt “Semiempirical van der Waals correction to the density functional description of solids and molecular structures” Phys. Rev. B 73, 205101 (2006). |
| 2. | W. G. Schmidt, K. Seino, M. Preuss, A. Hermann, F. Ortmann, and F. Bechstedt “Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction” Appl. Phys. A 85, 387 (2006). |
| 1. | F. Ortmann, W. G. Schmidt and F. Bechstedt “Attracted by Long-Range Electron Correlation: Adenine on Graphite” Phys. Rev. Lett. 95, 186101 (2005). |