New proposal for efficient energy conversion in a molecular junction with multiple loops

Maiti, Santanu K.; Dey, Moumita

doi:10.1016/j.cplett.2019.136601

Cited by 5 publications

(1 citation statement)

References 43 publications

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“…We model the DNA molecule using the standard tight-binding (TB) framework within a nearest-neighbor approximation, and calculate the electronic transmission using the transfer matrix formalism, [23][24][25][26][27][28][29][30] while the thermoelectric quantities are evaluated based on the Ladauer prescription. [31][32][33][34][35][36] Depending on the arrangements of two base pairs A and B (see Figure 1), we can have ordered and disordered DNAs, and, we will concentrate on both these two cases to make the present communication a self contained one.…”

Section: Introductionmentioning

confidence: 99%

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

Silva

Maiti

2019

ChemPhysChem

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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.

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Section: Introductionmentioning

confidence: 99%

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

Silva

Maiti

2019

ChemPhysChem

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Electronic and thermoelectric properties of a single pyrene molecule

Mutier

Al-Badry

2020

Chinese Journal of Physics

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Thermoelectric properties through a wire composed of isoprene molecules

2020

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In this work, we study the electrical and thermoelectric properties through carbon bonds acting as nanowires derived from linear unsaturated organic molecules with a π conjugated system composed of isoprene molecules (NWIM) linked to leads. The study of electrical properties is conducted through the length of the NWIM and molecular couplings, and that of thermoelectric properties is conducted through a hemiterpenoid with a single isoprenic unit as the chemical scaffold. We approach the system by modeling it based on a tight-binding Hamiltonian model and solving it by using analytical means such as the renormalization process and Green’s functions. We obtain the transmission probability by utilizing the Fisher–Lee relationship. In the linear response approximation, by analyzing the electronic conductance (G), the thermal conductance (κ), the Seebeck coefficient (S), and the figure of merit (ZT), the molecular system clearly shows a behavior similar to that of a semiconductor material, obtaining a better thermoelectric performance with an asymmetric transmission probability at the edges of the band. Remarkably, by careful selection of the Fermi energy, the system plays an important role in the effectiveness of the ZT. These results offer a novel approach to molecular-based device designs, where the change in conductance due to the length effect in the NWIM can produce changes in the insulator–conductor states.

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New proposal for efficient energy conversion in a molecular junction with multiple loops

Cited by 5 publications

References 43 publications

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

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

Electronic and thermoelectric properties of a single pyrene molecule

Thermoelectric properties through a wire composed of isoprene molecules

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