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Here we present a theoretical analysis of inelastic effects on thermoelectric properties of molecular-scale junction in both linear and nonlinear response regimes. Considered device is composed of molecular quantum dot (with discrete energy…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 Kamil Walczak

Vibrationally inelastic electron transport through a flexible molecular junction is investigated. The study is based on a mechanistic model for a biphenyl molecule between two metal electrodes. Employing methods from electron-molecule…

Mesoscale and Nanoscale Physics · Physics 2023-07-26 Martin Cizek , Michael Thoss , Wolfgang Domcke

The influence of multiple vibrational modes on current fluctuations in electron transport through single-molecule junctions is investigated. Our analysis is based on a generic model of a molecular junction, which comprises a single…

Mesoscale and Nanoscale Physics · Physics 2014-09-26 C. Schinabeck , R. Härtle , H. B. Weber , M. Thoss

Novel organic materials formed from functional molecules are attractive for various nanoelectronic applications because they are environmentally friendly, widely available and inexpensive. Recent advancement in bottom-up fabrication methods…

Mesoscale and Nanoscale Physics · Physics 2022-12-14 Abdalghani Daaoub , Renhang Wang , Ross Davidson , Sara Sangtarash , Hatef Sadeghi

We look for manifestations of quantum interference effects in the Seebeck coefficient of a molecular junction, when the electronic conductance exhibits pronounced destructive interference features due to the presence of quasi-degenerate…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 Lena Simine , Wei Jia Chen , Dvira Segal

The role of local electron-vibration and electron-electron interactions on the thermoelectric properties of molecular junctions is theoretically analyzed focusing on devices based on fullerene molecules. A self-consistent adiabatic approach…

Mesoscale and Nanoscale Physics · Physics 2019-08-08 C. A. Perroni , V. Cataudella

Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…

Mesoscale and Nanoscale Physics · Physics 2011-03-15 R. Härtle , M. Thoss

Thermoelectricity is generally understood as a classical effect emerging from energy-dependent transport asymmetries. Here we uncover a purely quantum mechanism, where a superconducting S-I-S' tunnel junction in thermal equilibrium develops…

Mesoscale and Nanoscale Physics · Physics 2025-10-31 Filippo Antola , Giorgio De Simoni , Francesco Giazotto , Alessandro Braggio

We propose a simple model to study resonant tunneling through an organic molecule between to conducting leads, taking into account the vibrational modes of the molecule. We solve the model approximately analytically in the weak coupling…

Mesoscale and Nanoscale Physics · Physics 2011-08-24 Sergei Kruchinin , Thomas Pruschke

We investigate the heat conduction properties of molecular junctions comprising anharmonic interactions. We find that nonlinear interactions can lead to novel phenomena: it negative differential thermal conductance and heat rectification.…

Soft Condensed Matter · Physics 2009-11-11 Dvira Segal

The role of multimode vibrational dynamics in electron transport through single molecule junctions is investigated. The study is based on a generic model, which describes charge transport through a single molecule that is attached to metal…

Mesoscale and Nanoscale Physics · Physics 2010-10-26 R. Härtle , C. Benesch , M. Thoss

We employ the functional renormalization group to study the effects of phonon-assisted tunneling on the nonequilibrium steady-state transport through a single level molecular quantum dot coupled to electronic leads. Within the framework of…

Strongly Correlated Electrons · Physics 2018-12-18 A. Khedri , T. A. Costi , V. Meden

We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 R. Volkovich , R. Härtle , M. Thoss , U. Peskin

We demonstrate control over heat flow in an N-terminal molecular junction. Using simple model Hamiltonians we show that the heat current through two terminals can be tuned, switched, and amplified, by the temperature and coupling parameters…

Soft Condensed Matter · Physics 2009-11-13 Dvira Segal

We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…

Mesoscale and Nanoscale Physics · Physics 2013-02-18 R. Härtle , M. Butzin , M. Thoss

Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…

Mesoscale and Nanoscale Physics · Physics 2012-04-16 Karol Izydor Wysokinski

We study full counting statistics for classical heat transport through anharmonic/nonlinear molecular junctions formed by interacting oscillators. Analytical result of the steady state heat flux for an overdamped anharmonic junction with…

Statistical Mechanics · Physics 2013-03-13 Sha Liu , Bjiay Kumar Agarwalla , Jian-Sheng Wang , Baowen Li

We study vibrational statistics in current-carrying model molecular junctions using master equation approach. Especially, we concentrate on the validity of using an effective temperature $T_{\rm eff}$ to characterize the nonequilibrium…

Mesoscale and Nanoscale Physics · Physics 2020-08-20 Tao Wang , Lei-Lei Nian , Jing-Tao Lü

Experiments studying vibrational effects on electronic transport through single molecules have observed several seemingly inconsistent behaviors, ranging from up to 30 harmonics of a vibrational frequency in one experiment, to an absence of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Vivek Aji , J. E. Moore , C. M. Varma

Harnessing the quantum coherence and tunability of molecular-scale structures, we theoretically explore thermoelectric transport in ring-shaped molecular junctions featuring dimerized hopping integrals. By engineering alternating strong and…

Other Condensed Matter · Physics 2025-12-17 Ranjini Bhattacharya , Souvik Roy