Thermoelectric transport in poly(G)-poly(C) double chains

J. E. González, M. Cruz-Irisson, V. Sánchez, Chumin Wang Chen

Resultado de la investigación: Contribución a una revistaArtículo

Resumen

Electronic and phononic transport in DNA systems with macroscopic length are studied by means of a real-space renormalization method within the Boltzmann formalism, where the poly(G)-poly(C) base-pair segments arranged following periodic and Fibonacci sequences are comparatively analyzed. The fishbone model and the two-site coarse grain model based on the Born potential including central and non-central interactions are respectively used for the calculation of electrical and lattice thermal conductivities of these DNA systems connected to two reservoirs at their ends. The results show the appearance of gaps in phononic transmittance spectra of segmented poly(G)-poly(C) double chains, which leads to a better thermoelectric figure of merit (ZT) than that of corresponding non-segmented systems. Such ZT can be further improved by introducing a long-range quasiperiodic order, which avoids the thermal transport of numerous low-frequency phonons responsible of the lattice thermal conduction at low temperature. Finally, the influence of reservoirs on ZT is also investigated.

Idioma originalInglés
Número de artículo109136
PublicaciónJournal of Physics and Chemistry of Solids
Volumen136
DOI
EstadoPublicada - 1 ene 2020

Huella dactilar

DNA
deoxyribonucleic acid
Phonons
figure of merit
Thermal conductivity
transmittance
phonons
thermal conductivity
formalism
low frequencies
conduction
electronics
interactions
Temperature
Hot Temperature
poly G-poly C

Citar esto

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title = "Thermoelectric transport in poly(G)-poly(C) double chains",
abstract = "Electronic and phononic transport in DNA systems with macroscopic length are studied by means of a real-space renormalization method within the Boltzmann formalism, where the poly(G)-poly(C) base-pair segments arranged following periodic and Fibonacci sequences are comparatively analyzed. The fishbone model and the two-site coarse grain model based on the Born potential including central and non-central interactions are respectively used for the calculation of electrical and lattice thermal conductivities of these DNA systems connected to two reservoirs at their ends. The results show the appearance of gaps in phononic transmittance spectra of segmented poly(G)-poly(C) double chains, which leads to a better thermoelectric figure of merit (ZT) than that of corresponding non-segmented systems. Such ZT can be further improved by introducing a long-range quasiperiodic order, which avoids the thermal transport of numerous low-frequency phonons responsible of the lattice thermal conduction at low temperature. Finally, the influence of reservoirs on ZT is also investigated.",
keywords = "Electronic transport, Organic semiconductors, Quasiperiodicity, Thermoelectricity",
author = "Gonz{\'a}lez, {J. E.} and M. Cruz-Irisson and V. S{\'a}nchez and {Wang Chen}, Chumin",
year = "2020",
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day = "1",
doi = "10.1016/j.jpcs.2019.109136",
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Thermoelectric transport in poly(G)-poly(C) double chains. / González, J. E.; Cruz-Irisson, M.; Sánchez, V.; Wang Chen, Chumin.

En: Journal of Physics and Chemistry of Solids, Vol. 136, 109136, 01.01.2020.

Resultado de la investigación: Contribución a una revistaArtículo

TY - JOUR

T1 - Thermoelectric transport in poly(G)-poly(C) double chains

AU - González, J. E.

AU - Cruz-Irisson, M.

AU - Sánchez, V.

AU - Wang Chen, Chumin

PY - 2020/1/1

Y1 - 2020/1/1

N2 - Electronic and phononic transport in DNA systems with macroscopic length are studied by means of a real-space renormalization method within the Boltzmann formalism, where the poly(G)-poly(C) base-pair segments arranged following periodic and Fibonacci sequences are comparatively analyzed. The fishbone model and the two-site coarse grain model based on the Born potential including central and non-central interactions are respectively used for the calculation of electrical and lattice thermal conductivities of these DNA systems connected to two reservoirs at their ends. The results show the appearance of gaps in phononic transmittance spectra of segmented poly(G)-poly(C) double chains, which leads to a better thermoelectric figure of merit (ZT) than that of corresponding non-segmented systems. Such ZT can be further improved by introducing a long-range quasiperiodic order, which avoids the thermal transport of numerous low-frequency phonons responsible of the lattice thermal conduction at low temperature. Finally, the influence of reservoirs on ZT is also investigated.

AB - Electronic and phononic transport in DNA systems with macroscopic length are studied by means of a real-space renormalization method within the Boltzmann formalism, where the poly(G)-poly(C) base-pair segments arranged following periodic and Fibonacci sequences are comparatively analyzed. The fishbone model and the two-site coarse grain model based on the Born potential including central and non-central interactions are respectively used for the calculation of electrical and lattice thermal conductivities of these DNA systems connected to two reservoirs at their ends. The results show the appearance of gaps in phononic transmittance spectra of segmented poly(G)-poly(C) double chains, which leads to a better thermoelectric figure of merit (ZT) than that of corresponding non-segmented systems. Such ZT can be further improved by introducing a long-range quasiperiodic order, which avoids the thermal transport of numerous low-frequency phonons responsible of the lattice thermal conduction at low temperature. Finally, the influence of reservoirs on ZT is also investigated.

KW - Electronic transport

KW - Organic semiconductors

KW - Quasiperiodicity

KW - Thermoelectricity

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DO - 10.1016/j.jpcs.2019.109136

M3 - Artículo

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JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

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