Seebeck effect in molecular junctions

Zimbovskaya, Natalya A

doi:10.1088/0953-8984/28/18/183002

Cited by 50 publications

(64 citation statements)

References 157 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Once the transmission function

T (E)

is determined based on transfer matrix formalism which can meet Oseledec theorem, we can do all the theoretical calculations to study thermoelectric properties, which is the standard formalism for these calculations. For complete analysis we need to calculate electrical conductance G , Seebeck coefficient S , thermal conductance k and the figure of merit ZT . We evaluate these quantities by using Landauer integrals through the following relations:

true G = \frac{2 e^{2}}{h} L_{0}

true S = - \frac{1}{e T} \frac{L_{1}}{L_{0}}

true κ = \frac{2}{h T} (L_{2} - \frac{L_{1}^{2}}{L_{0}})

true Z T = \frac{G S^{2} T}{κ} = \frac{1}{0false \frac{L_{0} L_{2}}{L_{1}^{2}} - 1}

…”

Section: Methodsmentioning

confidence: 99%

“…Now, whenever we talk about the thermoelectric energy conversion, we need to focus on the conversion efficiency which is measured by the quantity figure of merit , usually referred as ZT . To make the device competitive with present thermoelectric devices, ZT should be at least comparable to unity, and, higher value of ZT (

Z T > 1

) is thus always favorable.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Thermal Properties of Ordered and Disordered DNA Chains: Efficient Energy Conversion

Silva

Maiti

2019

ChemPhysChem

View full text Add to dashboard Cite

Considering the numerous possibilities of having suitable thermoelectric energy conversion at nano‐scale level, especially for molecular systems, in the present work we put forward a new proposal along this using a flat DNA segment as a functional element. It is modeled by coupling two chains to a form a two‐stranded ladder like geometry, with interactions to first neighbors, within the tight‐binding prescription. We critically investigate electrical and thermal properties of DNA molecule depending on the length of the system, temperature, molecule‐to‐lead coupling and the degree of (correlated) disorder. Our analysis might be helpful in analyzing thermoelectric signatures of correlated and uncorrelated disordered systems, and can be verified in laboratory.

show abstract

“…Once the transmission function

T (E)

true G = \frac{2 e^{2}}{h} L_{0}

true S = - \frac{1}{e T} \frac{L_{1}}{L_{0}}

true κ = \frac{2}{h T} (L_{2} - \frac{L_{1}^{2}}{L_{0}})

true Z T = \frac{G S^{2} T}{κ} = \frac{1}{0false \frac{L_{0} L_{2}}{L_{1}^{2}} - 1}

…”

Section: Methodsmentioning

confidence: 99%

Z T > 1

) is thus always favorable.…”

Section: Introductionmentioning

confidence: 99%

Thermal Properties of Ordered and Disordered DNA Chains: Efficient Energy Conversion

Silva

Maiti

2019

ChemPhysChem

View full text Add to dashboard Cite

show abstract

“…For this model, and variants thereof [1,17,18], a large number of results have been obtained, including the linear [19] and nonlinear [20][21][22][23][24][25][26] electrical conductance, the thermopower in the perturbative high-temperature limit T [17], and other thermoelectric properties [27][28][29][30]. In contrast, previous studies of the spinless Anderson-Holstein model have mainly focused on renormalization effects on the low-energy scale [31][32][33][34] and on the electrical conductance [35][36][37][38].…”

Section: Introductionmentioning

confidence: 99%

Influence of phonon-assisted tunneling on the linear thermoelectric transport through molecular quantum dots

2017

View full text Add to dashboard Cite

We investigate the effect of vibrational degrees of freedom on the linear thermoelectric transport through a single-level quantum dot described by the spinless Anderson-Holstein impurity model. To study the effects of strong electron-phonon coupling, we use the nonperturbative numerical renormalization group approach. We also compare our results, at weak to intermediate coupling, with those obtained by employing the functional renormalization group method, finding good agreement in this parameter regime. When applying a gate voltage at finite temperatures, the inelastic scattering processes, induced by phonon-assisted tunneling, result in an interesting interplay between electrical and thermal transport. We explore different parameter regimes and identify situations for which the thermoelectric power as well as the dimensionless figure of merit are significantly enhanced via a Mahan-Sofo type of mechanism. We show, in particular, that this occurs at strong electron-phonon coupling and in the antiadiabatic regime.

show abstract

“…Multi-layer quantum well superlatices, carbon-based two dimensional systems, one dimensional quantum wires, and quantum dot systems, all have been intensively investigated both theoretically and experimentally in connection with their electronic and thermal transport properties [3,4]. In particular, molecular junctions consisting of quantum dots sandwiched between conducting electrodes provide various ways to control thermoelectric properties [5]. One can control the type of material used for the electrodes, the coupling between the electrodes and the quantum dots, the Coulomb interaction between localized electrons in the quantum dots, the characteristic energy levels in the component quantum dots, and even the possible quantum interference effects in the system.…”

Section: Pacs Numbersmentioning

confidence: 99%

Thermoelectric transport properties in graphene connected molecular junctions

Rodriguez

Grosu

Crişan

et al. 2018

Physica E: Low-dimensional Systems and Nanostructures

View full text Add to dashboard Cite

We study the electronic contribution to the main thermoelectric properties of a molecular junction consisting of a single quantum dot coupled to graphene external leads. The system electrical conductivity (G), Seebeck coefficient (S), and the thermal conductivity (κ), are numerically calculated based on a Green's function formalism that includes contributions up to the Hartree-Fock level. We consider the system leads to be made either of pure or gapped-graphene. To describe the free electrons in the gapped-graphene electrodes we used two possible scenarios, the massive gap scenario, and the massless gap scenario, respectively. In all cases, the Fano effect is responsible for a strong violation of the Wiedemann-Franz law and we found a substantial increase of the system figure of merit ZT due to a drastic reduction of the system thermal coefficient. In the case of gapped-graphene electrodes, the system figure of merit presents a maximum at an optimal value of the energy gap of the order of ∆/D ∼ 0.002 (massive gap scenario) and ∆/D ∼ 0.0026 (massless gap scenario). Additionally, for all cases, the system figure of merit is temperature dependent.

show abstract

Seebeck effect in molecular junctions

Cited by 50 publications

References 157 publications

Thermal Properties of Ordered and Disordered DNA Chains: Efficient Energy Conversion

Thermal Properties of Ordered and Disordered DNA Chains: Efficient Energy Conversion

Influence of phonon-assisted tunneling on the linear thermoelectric transport through molecular quantum dots

Thermoelectric transport properties in graphene connected molecular junctions

Contact Info

Product

Resources

About