Related papers: Length-dependent thermopower of single-molecule ju…
We calculate the thermoelectric power (or thermopower) of many semiconducting single wall carbon nanotubes (s-SWNTs) within a diameter range 0.5-1.5 nm by using the Boltzmann transport formalism combined with an extended tight-binding…
We describe in this paper a crossbridge model in which an attached crossbridge behaves like a linear spring with a variable rest length. We assume in particular that the rest length has a linear force-velocity relation, and that the force…
We report a method using scanning tunnelling microscope single molecular break junction to simultaneously measure and correlate the single-molecule thermopower and electrical conductance. In contrast to previously reported approaches, it…
Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles full quantum calculations, we tune thermal conductance of a…
We study a system composed of a quantum dot in contact with ferromagnetic leads, held at different temperatures. Spin analogues to the thermopower and thermoelectric figures of merit are defined and studied as a function of junction…
In the present work we theoretically analyze thermoelectric transport in single-molecule junctions (SMJ) characterized by strong interactions between electrons on the molecular linkers and phonons in their nuclear environments where…
A scanning tunnelling microscope has been used to determine the conductance of single molecular wires with the configuration X-bridge-X, X-bridge-Y and Y-bridge-Y (X = thiol terminus and Y = COOH). We find that for molecular wires with…
We report on the single-molecule electronic and thermoelectric properties of strategically chosen anthracene-based molecules with anchor groups capable of binding to noble metal substrates, such as gold and platinum. Specifically, we study…
We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…
We discuss the force-velocity relations obtained in a two-state crossbridge model for molecular motors. They can be calculated analytically in two limiting cases: for a large number and for one pair of motors. The effect of the…
The freely jointed chain is often applied to model the thermodynamics of single polymer chains, but the traditional formulation of the model lacks internal energy changes due to bond stretching. For this reason, the extensible freely…
The thermopower and conductance of atomic-size metallic contacts have been simultaneously measured using a mechanically controllable break junction. For contacts approaching atomic dimensions, abrupt steps in the thermopower are observed…
We report the first concurrent determination of conductance (G) and thermopower (S) of single-molecule junctions via direct measurement of electrical and thermoelectric currents using a scanning tunneling microscope-based break-junction…
Quantum dots are an important model system for thermoelectric phenomena, and may be used to enhance the thermal-to-electric energy conversion efficiency in functional materials. It is therefore important to obtain a detailed understanding…
We study the thermodynamic properties of a superconductor/normal metal/superconductor Josephson junction {in the short limit}. Owing to the proximity effect, such a junction constitutes a thermodynamic system where {phase difference},…
Dynamic properties of molecular motors that fuel their motion by actively interacting with underlying molecular tracks are studied theoretically via discrete-state stochastic ``burnt-bridge'' models. The transport of the particles is viewed…
In biology, there are several processes in which unfolded protein chains are transported along narrow-tube channels. Normally, without such a severe configurational constraint, unfolded polypeptides would not bind to each other. However,…
The temperature-dependent transverse mechanical properties of single-walled nanotubes are studied using a molecular mechanics approach. The stretching and bond angle force constants describing the mechanical behaviour of the sp^{2} bonds…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
Analytical relations for the mechanical response of single polymer chains are valuable for modeling purposes, on both the molecular and the continuum scale. These relations can be obtained using statistical thermodynamics and an idealized…