Robert Stadler - Publication list


PUBLISHED

  1. Enhancing the sensitivity and selectivity of pyrene-based sensors for detection of small gaseous molecules via destructive quantum interference
    O. Sengul, J. Völkle, A. Valli, and R. Stadler
    Phys. Rev. B 105, 165428 (2022).
    link to pdf

  2. Electrode effects on the observability of destructive quantum interference in single-molecule junctions
    O. Sengul, A. Valli, and R. Stadler
    Nanoscale 13, 17011 (2021).
    link to pdf

  3. Long-lived charged states of single porphyrin-tape junctions under ambient conditions
    E. Leary, G. Kastlunger, B. Limburg, L. Rincón-García, J. Hurtado-Gallego, M. T. González, G. Rubio Bollinger, N. Agrait, S. J. Higgins, H. L. Anderson, R. Stadler, and R. J. Nichols
    Nanoscale Horiz. 6, 49-58 (2021).
    link to pdf

  4. Smart local orbitals for efficient calculations within density functional theory and beyond
    G. Gandus, A. Valli, D. Passerone, and R. Stadler
    J. Chem. Phys. 153, 194103 (2020).
    link to pdf

  5. Density functional theory based electron transport study of coherent tunneling through cyclic molecules containing Ru and Os as redox active centers
    X. Zhao and R. Stadler
    Phys. Rev. B 99, 115428 (2019).
    link to pdf

  6. DFT-based study of electron transport through ferrocene compounds with different anchor groups in different adsorption configurations of an STM setup
    X. Zhao and R. Stadler
    Phys. Rev. B 99, 045431 (2019).
    link to pdf

  7. Quantum interference in coherent tunneling through branched molecular junctions containing ferrocene centers
    X. Zhao, G. Kastlunger, and R. Stadler
    Phys. Rev. B 96, 085421 (2017).
    link to pdf

  8. Destructive quantum interference in electron transport: A reconcillation of the molecular orbital and the atomic orbital perspective
    X. Zhao, V. Geskin, and R. Stadler
    J. Chem. Phys. 146, 092308 (2017).
    link to pdf

  9. Bias-induced conductance switching in single molecule junctions containing a redox-active transition metal complex
    G. Kastlunger and R. Stadler
    Monatshefte für Chemie / Chemical Monthly 147, 1675 (2016).
    link to pdf

  10. Charge transport and conductance switching of redox-active Azulene derivatives
    F. Schwarz, M. Koch, G. Kastlunger, H. Berke, R. Stadler, K. Venkatesan, and E. Lörtscher
    English version: Angew. Chem. Int. Ed. 55, 11781 (2016).
    link to pdf
    German version: Angew. Chem. 128, 11956 (2016).
    link to pdf

  11. Field-induced conductance switching by charge-state alternation in organometallic single-molecule junctions
    F. Schwarz, G. Kastlunger, F. Lissel, C. Egler-Lucas, S. Semenov, K. Venkatesan, H. Berke, R. Stadler, and E. Lörtscher
    Nature Nanotechnology 11, 170 (2016).
    link to pdf

  12. Comment on "Breakdown of interference rules in Azulene, a nonalternant hydrocarbon"
    R. Stadler
    Nano Lett. 15, 7175 (2015).
    link to pdf

  13. Density functional theory based direct comparison of coherent tunneling and electron hopping in redox-active single-molecule junctions
    G. Kastlunger and R. Stadler
    Phys. Rev. B 91, 125410 (2015).
    link to pdf

  14. Partial vs. integer electron transfer in molecular assemblies: On the importance of a multideterminant theoretical description and the necessity to find a solution within DFT
    V. Geskin, R. Stadler, and J. Cornil
    AIP Conf. Proc. 1642, 249 (2015).
    link to pdf

  15. High-Conductive Organometallic Molecular Wires with Delocalized Electron Systems Strongly Coupled to Metal Electrodes
    F. Schwarz, G. Kastlunger, F. Lissel, H. Riel, K. Venkatesan, H. Berke, R. Stadler, and E. Lörtscher
    Nano Lett. 14, 5932 (2014).
    link to pdf

  16. Book review of the textbook "Electrons in Molecules. From Basic Principles to Molecular Electronics." written by Jean-Pierre Launay and Michel Verdaguer and published by WILEY-VCH.
    R. Stadler
    English version: Angew. Chem. Int. Ed. 53, 6307 (2014).
    link to pdf
    German version: Angew. Chem. 126, 6423 (2014).
    link to pdf

  17. Density functional theory based calculations of the transfer integral in a redox-active single-molecule junction
    G. Kastlunger and R. Stadler
    Phys. Rev. B 89, 115412 (2014).
    link to pdf

  18. Charge localization on a redox-active single-molecule junction and its influence on coherent electron transport
    G. Kastlunger and R. Stadler
    Phys. Rev. B 88, 035418 (2013).
    link to pdf

  19. Contribution to the textbook "Architecture and Design of Molecule Logic Gates and Atom Circuits"
    R. Stadler: "Quantum interference effects in electron transport: How to select suitable molecules for logic gates and thermoelectric devices"
    Springer-Verlag GmbH, Heidelberg and Berlin (2013).
    link to order form

  20. Electron transfer through a single barrier inside a molecule: From strong to weak coupling
    R. Stadler, J. Cornil, and V. Geskin
    J. Chem. Phys. 137, 074110 (2012).
    link to pdf

  21. Controlling the transmission line shape of molecular t-stubs and potential thermoelectric applications
    R. Stadler and T. Markussen
    J. Chem. Phys. 135, 154109 (2011).
    link to pdf

  22. Graphical prediction of quantum interference-induced transmission nodes in functionalized organic molecules
    T. Markussen, R. Stadler, and K. S. Thygesen
    Phys. Chem. Chem. Phys. 13, 14311 (2011).
    link to pdf

  23. The relation between structure and quantum interference in single molecule junctions
    T. Markussen, R. Stadler, and K. S. Thygesen
    Nano Lett. 10, 4260 (2010).
    link to pdf

  24. Conformation dependence of charge transfer and level alignment in nitrobenzene junctions with pyridyl anchor groups
    R. Stadler
    Phys. Rev. B 81, 165429 (2010).
    link to pdf

  25. Quantum interference effects in electron transport through nitrobenzene with pyridil anchor groups
    R. Stadler
    Phys. Rev. B 80, 125401 (2009).
    link to pdf

  26. A multideterminant assessment of mean field methods for the description of electron transfer in the weak coupling regime
    V. Geskin, R. Stadler, and J. Cornil
    Phys. Rev. B 80, 085411 (2009).
    link to pdf

  27. Screening effects in a density functional theory based description of molecular junctions in the Coulomb blockade regime
    R. Stadler, V. Geskin, and J. Cornil
    Phys. Rev. B 79, 113408 (2009).
    link to pdf

  28. Towards a theoretical description of molecular junctions in the Coulomb blockade regime based on density functional theory
    R. Stadler, V. Geskin, and J. Cornil
    Phys. Rev. B 78, 113402 (2008).
    link to pdf

  29. A theoretical view on unimolecular rectification
    R. Stadler, V. Geskin, and J. Cornil
    J. Phys.: Condens. Matter 20, 374105 (2008).
    link to pdf

  30. A theoretical study of substitution effects in unimolecular rectifiers
    R. Stadler, V. Geskin, and J. Cornil
    Adv. Funct. Mat. 18 1119 (2008).
    link to pdf

  31. Molecular, chemical and organic computing
    R. Stadler
    Comm. ACM 50 43 (2007).
    link to pdf

  32. Fermi level alignment in single molecule junctions and its dependence on interface structure
    R. Stadler
    J. Phys.: Conf. Ser. 61 1097 (2007).
    link to pdf

  33. Evidence for a single hydrogen molecule connected by an atomic chain
    M. Kiguchi, R. Stadler, I. S. Kristensen, D. Djukic, and J. M. van Ruitenbeek
    Phys. Rev. Lett. 98 146802 (2007).
    link to pdf

  34. An ab initio study of a field-induced position change of a C_60 molecule adsorbed on a gold tip
    R. Stadler, S. Kubatkin, and T. Bjørnholm
    Nanotechnology 18 165501 (2007).
    link to pdf

  35. Fermi level alignment in molecular nanojunctions and its relation to charge transfer
    R. Stadler and K. W. Jacobsen
    Phys. Rev. B 74 161405(R) (2006).
    link to pdf

  36. Contribution to the textbook "Properties of single organic molecules on crystal surfaces"
    R. Stadler: "Molecular electronics"
    Imperial College Press, London and Singapore (2006).
    link to order form

  37. Computer architectures and electron transport theory in molecular electronics
    R. Stadler
    Proceedings of the Symposium on Nanotechnology and Nanoscience
    IIAS (International Institute for Advanced Studies), pp. 67-72 (2006).
    available at libraries

  38. A new scheme for intra-molecular data storage and information processing
    R. Stadler
    Proceedings of the Symposium on Nanotechnology and Nanoscience
    IIAS (International Institute for Advanced Studies), pp. 25-30 (2006).
    available at libraries

  39. Forces and conductances in a single-molecule bipyridine junction
    R. Stadler, K. S. Thygesen, and K. W. Jacobsen
    Phys. Rev. B 72 241401(R) (2005).
    link to pdf

  40. An ab initio-study of electron transport through nitro-benzene: the influence of leads and contacts
    R. Stadler, K. S. Thygesen, and K. W. Jacobsen
    Nanotechnology 16 S155 (2005).
    link to pdf

  41. Contribution to the textbook "3D Nanoelectronic computer architecture and implementation"
    R. Stadler and M. Forshaw: "Molecular electronics"
    IOP Publishing Ltd , Bristol and Philadelphia (2005).
    link to order form

  42. A short review of architectures in nanoelectronics
    M. Forshaw, R. Stadler, D. Crawley, and K. Nicolic
    Nanotechnology 15 S220 (2004).
    link to pdf

  43. Integrating logic functions inside a single molecule
    R. Stadler, S. Ami, M. Forshaw, and C. Joachim
    Nanotechnology 15 S115 (2004).
    link to pdf

  44. A tight-binding study of a 1-bit half-adder based on diode logic integrated inside a single molecule
    R. Stadler, S. Ami, M. Forshaw, and C. Joachim
    Nanotechnology 14 722 (2003).
    link to pdf

  45. Modulation of electron transmission for molecular data storage
    R. Stadler, M. Forshaw, and C. Joachim
    Nanotechnology 14 138 (2003).
    link to pdf

  46. A tight-binding study of computer circuits for adding numbers inside a molecule
    R. Stadler, S. Ami, M. Forshaw, and C. Joachim
    Nanotechnology 13 424 (2002).
    link to pdf

  47. The performance of hybrid-molecular architectures with current CMOS technology as a reference
    R. Stadler and M. Forshaw
    Physica E 13 930 (2002).
    link to pdf

  48. A memory/adder model based on single C_60 molecular transistors
    R. Stadler, S. Ami, M. Forshaw, and C. Joachim
    Nanotechnology 12 350 (2001).
    link to pdf

  49. First principles molecular dynamics studies of liquid tellurium
    R. Stadler and M. J. Gillan
    J. Phys.: Cond. Matt. 12 6053 (2000).
    link to pdf

  50. Tight binding molecular dynamics studies of the viscosity of liquid selenium
    R. Stadler, D. R. Bowler, D. Alfe, and M. J. Gillan
    J. Phys.: Cond. Matt. 12 5109 (2000).
    link to pdf

  51. Ab initio studies of the CoSi_2(100)/Si(100) interface
    R. Stadler and R. Podloucky
    Phys. Rev. B 62 2209 (2000).
    link to pdf

  52. First principles molecular dynamics studies of liquid selenium close to the critical point
    R. Stadler, G. Kresse, and M. J. Gillan
    J. Phys.: Cond. Matt. 11 10211 (1999).
    link to pdf

  53. Transport coefficients of liquids from first principles
    R. Stadler, D. Alfe, G. Kresse, G. A. de Wijs, and M. J. Gillan
    J. Non-Cryst. Solids 250-252 82 (1999).
    link to pdf

  54. Ab initio study of the CoSi_2(111)/Si(111) interface
    R. Stadler, D. Vogtenhuber, and R. Podloucky
    Phys. Rev. B 60 17112 (1999).
    link to pdf

  55. Ab initio studies of the (100), (110) and (111) surfaces of CoSi_2
    R. Stadler, R. Podloucky, G. Kresse, and J. Hafner
    Phys. Rev. B 57 4088 (1998).
    link to pdf

  56. Ab initio calculations of cohesive, elastic and dynamical properties of CoSi_2 by pseudopotential and all-electron techniques
    R. Stadler, W. Wolf, R. Podloucky, G. Kresse, J. Furthmüller, and J. Hafner
    Phys. Rev. B 54 1729 (1996).
    link to pdf