Robert Stadler - Publication list
PUBLISHED
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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).
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Electrode effects on the observability of destructive quantum interference in single-molecule junctions
O. Sengul, A. Valli, and R. Stadler
Nanoscale 13, 17011 (2021).
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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).
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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).
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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).
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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).
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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).
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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).
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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).
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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).
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German version: Angew. Chem. 128, 11956 (2016).
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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).
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Comment on "Breakdown of interference rules in Azulene, a nonalternant hydrocarbon"
R. Stadler
Nano Lett. 15, 7175 (2015).
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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).
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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).
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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).
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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).
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German version: Angew. Chem. 126, 6423 (2014).
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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).
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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).
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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).
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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).
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Controlling the transmission line shape of molecular t-stubs and potential thermoelectric applications
R. Stadler and T. Markussen
J. Chem. Phys. 135, 154109 (2011).
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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).
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The relation between structure and quantum interference in single molecule junctions
T. Markussen, R. Stadler, and K. S. Thygesen
Nano Lett. 10, 4260 (2010).
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Conformation dependence of charge transfer and level alignment in nitrobenzene junctions with pyridyl anchor groups
R. Stadler
Phys. Rev. B 81, 165429 (2010).
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Quantum interference effects in electron transport through nitrobenzene with pyridil anchor groups
R. Stadler
Phys. Rev. B 80, 125401 (2009).
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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).
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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).
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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).
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A theoretical view on unimolecular rectification
R. Stadler, V. Geskin, and J. Cornil
J. Phys.: Condens. Matter 20, 374105 (2008).
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A theoretical study of substitution effects in unimolecular rectifiers
R. Stadler, V. Geskin, and J. Cornil
Adv. Funct. Mat. 18 1119 (2008).
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Molecular, chemical and organic computing
R. Stadler
Comm. ACM 50 43 (2007).
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Fermi level alignment in single molecule junctions and its dependence on interface structure
R. Stadler
J. Phys.: Conf. Ser. 61 1097 (2007).
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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).
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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).
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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).
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Contribution to the textbook "Properties of single organic molecules on crystal surfaces"
R. Stadler: "Molecular electronics"
Imperial College Press, London and Singapore (2006).
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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
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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
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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).
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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).
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Contribution to the textbook "3D Nanoelectronic computer architecture and implementation"
R. Stadler and M. Forshaw: "Molecular electronics"
IOP Publishing Ltd , Bristol and Philadelphia (2005).
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A short review of architectures in nanoelectronics
M. Forshaw, R. Stadler, D. Crawley, and K. Nicolic
Nanotechnology 15 S220 (2004).
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Integrating logic functions inside a single molecule
R. Stadler, S. Ami, M. Forshaw, and C. Joachim
Nanotechnology 15 S115 (2004).
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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).
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Modulation of electron transmission for molecular data storage
R. Stadler, M. Forshaw, and C. Joachim
Nanotechnology 14 138 (2003).
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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).
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The performance of hybrid-molecular architectures with current CMOS technology as a reference
R. Stadler and M. Forshaw
Physica E 13 930 (2002).
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A memory/adder model based on single C_60 molecular transistors
R. Stadler, S. Ami, M. Forshaw, and C. Joachim
Nanotechnology 12 350 (2001).
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First principles molecular dynamics studies of liquid tellurium
R. Stadler and M. J. Gillan
J. Phys.: Cond. Matt. 12 6053 (2000).
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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).
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Ab initio studies of the CoSi_2(100)/Si(100) interface
R. Stadler and R. Podloucky
Phys. Rev. B 62 2209 (2000).
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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).
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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).
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Ab initio study of the CoSi_2(111)/Si(111) interface
R. Stadler, D. Vogtenhuber, and R. Podloucky
Phys. Rev. B 60 17112 (1999).
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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).
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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).
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