Thermopower of molecular junctions: Tunneling to hopping crossover in DNA
arXiv:1609.02474 · doi:10.1063/1.4971167
Abstract
We study the electrical conductance and the thermopower of single-molecule junctions, and reveal signatures of different transport mechanisms: off-resonant tunneling, on-resonant coherent (ballistic) motion, and multi-step hopping. These mechanisms are identified by studying the behavior of and while varying molecular length and temperature. Based on a simple one-dimensional model for molecular junctions, we derive approximate expressions for the thermopower in these different regimes. Analytical results are compared to numerical simulations, performed using a variant of Büttiker's probe technique, the so-called voltage-temperature probe, which allows us to phenomenologically introduce environmentally-induced elastic and inelastic electron scattering effects, while applying both voltage and temperature biases across the junction. We further simulate the thermopower of GC-rich DNA molecules with mediating A:T blocks, and manifest the tunneling-to-hopping crossover in both the electrical conductance and the thermopower, in accord with measurements by Y. Li et al., Nature Comm. 7, 11294 (2016).
References in corpus (35)
- Heat Transport in low-dimensional systems
- Thermoelectric effect in molecular electronics
- Spin-Selective Transport of Electron in DNA Double Helix
- Simultaneous Determination of Conductance and Thermopower of Single Molecule Junctions
- Thermopower of Single-Molecule Devices
- Electronic Transport in DNA
- Giant Thermoelectric Effect from Transmission Supernodes
- Three-terminal thermoelectric transport through a molecular junction
- Theory of non-equilibrium thermoelectric effects in nanoscale junctions
- Length-dependent conductance and thermopower in single-molecule junctions of dithiolated oligophenylene derivatives
- Full counting statistics of vibrationally-assisted electronic conduction: transport and fluctuations of the thermoelectric efficiency
- Thermoelectric effect in molecular junctions: A tool for revealing transport mechanisms
- Charge transport through bio-molecular wires in a solvent: Bridging molecular dynamics and model Hamiltonian approaches
- A Single-Level Tunnel Model to Account for Electrical Transport through Single Molecule- and Self-Assembled Monolayer-based Junctions
- First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions
- Inelastic effects in molecular junction transport: Scattering and self-consistent calculations for the Seebeck coefficient
- Structural fluctuations and quantum transport through DNA molecular wires: a combined molecular dynamics and model Hamiltonian approach
- Charge transfer via a two-strand superexchange bridge in DNA
- Electron transport in a one dimensional conductor with inelastic scattering by self-consistent reservoirs
- Disorder and dephasing effect on electron transport through conjugated molecular wires in molecular junctions
- Quantum heat transfer in harmonic chains with self consistent reservoirs: Exact numerical simulations
- Unified model for conductance through DNA with the Landauer-Buttiker formalism
- Ab-initio study of the thermopower of biphenyl-based single-molecule junctions
- Thermal balance and quantum heat transport in nanostructures thermalized by local Langevin heat baths
- The probe technique far-from-equilibrium: Magnetic field symmetries of nonlinear transport
- ThermoElectric Transport Properties of a Chain of Quantum Dots with Self-Consistent Reservoirs
- Seebeck Coefficients in Nanoscale Junctions: Effects of Electron-vibration Scattering and Local Heating
- Quantitatively Accurate Calculations of Conductance and Thermopower of Molecular Junctions
- From Chemistry to Functionality: Trends for the Length Dependence of the Thermopower in Molecular Junctions
- Inelastic effects in molecular transport junctions: The probe technique at high bias
- Conductance of DNA molecules: Effects of decoherence and bonding
- Electron and phonon drag in thermoelectric transport through coherent molecular conductors
- Thermoelectric properties of vibrating molecule asymmetrically connected to the electrodes
- Understanding the length dependence of molecular junction thermopower
- Intermediate coherent-incoherent charge transport: DNA as a case study
Cited by in corpus (7)
- Machine Learning Prediction of DNA Charge Transport
- Controlling charge transport mechanisms in molecular junctions: Distilling thermally-induced hopping from coherent-resonant conduction
- Non-Monotonic Thermoelectric Currents and Energy Harvesting in Interacting Double Quantum-Dots
- From exhaustive simulations to key principles in DNA nanoelectronics
- Thermopower and dynamical Coulomb blockade in non-classical environments
- Long-Range Charge Transport in Homogeneous and Alternating-Rigidity Chains
- Dephasing-enhanced performance in quasiperiodic thermal machines