A homogenization theory is developed to predict the influence of spherical inclusions on the effective thermoelectric properties of thermoelectric composite materials based on the general principles of thermodynamics ...A homogenization theory is developed to predict the influence of spherical inclusions on the effective thermoelectric properties of thermoelectric composite materials based on the general principles of thermodynamics and Mori-Tanaka method.The closed-form solutions of effective Seebeck coefficient,electric conductivity,heat conductivity,and figure of merit for such thermoelectric materials are obtained by solving the nonlinear coupled transport equations of electricity and heat.It is found that the effective figure of merit of thermoelectric material containing spherical inclusions can be higher than that of each constituent in the absence of size effect and interface effect.Some interesting examples of actual thermoelectric composites with spherical inclusions,such as insulated cavities,inclusions subjected to conductive electric and heat exchange and thermoelectric inclusions,are considered,and the numerical results lead to the conclusion that considerable enhancement of the effective figure of merit is achievable by introducing inclusions.In this paper,we provide a theoretical foundation for analytically and computationally treating the thermoelectric composites with more complicated inclusion structures,and thus pointing out a new route to their design and optimization.展开更多
A new module design concept that integrates materials engineering with thermoelectric module optimization is proposed.This concept transforms the gaps between thermoelements and couples into internal space/pores withi...A new module design concept that integrates materials engineering with thermoelectric module optimization is proposed.This concept transforms the gaps between thermoelements and couples into internal space/pores within the elements to eliminate heat loss and thus to enhance module performance.The effect of the internal pore structure on module performance was studied using two effective medium models.The modeling results demonstrated that the power generation of the proposed module design increased by~8%and the efficiency increased>20%compared to those of the traditional module design.The effect of the inclusion of the second solid phase in the composite on module performance was also studied using nine different high-efficiency thermoelectric materials as the inclusions.The modeling results showed that further increase in module performance up to~50%that of the traditional module design can be achieved.展开更多
A detailed computational investigation,based on density functional theory,of the interaction of polyani-line(PANI)and graphene nanoribbons(GNRs)with SrTiO_(3) is presented.The adsorption of PANI in var-ious oxidation ...A detailed computational investigation,based on density functional theory,of the interaction of polyani-line(PANI)and graphene nanoribbons(GNRs)with SrTiO_(3) is presented.The adsorption of PANI in var-ious oxidation states and co-adsorption with GNRs is found to be thermodynamically favourable.Ad-sorbed PANI introduces N and C 2p states into the SrTiO_(3) bandgap,while co-adsorption of PANI and GNRs leads to a bridging of the gap and semi-metallic behaviour,thus rendering the electrical properties highly sensitive to the loading of the GNRs/PANI in the composites.Modelling the lattice dynamics of the composites predicts a 68-88%reduction in the lattice thermal conductivity due to reduced phonon group velocities.Taken together,these findings provide insight into the growing number of experimental studies highlighting the enhanced thermoelectric performance of oxide-polymer composites and indicate co-adsorption with graphene as a facile direction for future research.展开更多
The efficiency-upgrading role that La0.8Sr0.2CoO3 plays in the thermoelectric properties of Bi Cu Se O(BCSO) has been studied. LSCO was introduced into BCSO, increasing the electrical conductivity from 3.3 to 52.3 S...The efficiency-upgrading role that La0.8Sr0.2CoO3 plays in the thermoelectric properties of Bi Cu Se O(BCSO) has been studied. LSCO was introduced into BCSO, increasing the electrical conductivity from 3.3 to 52.3 S cm^-1 at 303 K, from 35.8 to 97.3 S cm^-1 at 873 K; respectively. The Seebeck coefficient of all composites still holds around or more than 200 μV/K. Based on the enhanced electrical conductivity and high Seebeck coefficient, the power factor is enhanced by approximately 35%, with the best sample reaching a maximum value of 476.7 μ Wm^-1 K^-2 at 873 K. The lattice thermal conductivity of the nanocomposites is reduced as LSCO content increases from 15 vol% to 30 vol% due to the phonon scattering by nanoparticles and grain boundaries, resulting in a significant reduction in total thermal conductivity. In short, the enhanced thermoelectric figure of merit of 0.67 at 873 K for the sample containing 20 vol% LSCO as compared to 0.53 for the pure sample; announces the promising effect of LSCO on improving thermoelectric properties of Bi Cu Se O.展开更多
基金Project supported by the Ningbo Natural Science Foundation,China(Grant Nos.2019A610151 and 2018A610081)the Natural Science Foundation of Zhejiang Province,China(Grant Nos.LY17A020001 and LY20A020002)+1 种基金the National Natural Science Foundation of China(Grant No.11402063)the K C Wong Magna Fund in Ningbo University,China.
文摘A homogenization theory is developed to predict the influence of spherical inclusions on the effective thermoelectric properties of thermoelectric composite materials based on the general principles of thermodynamics and Mori-Tanaka method.The closed-form solutions of effective Seebeck coefficient,electric conductivity,heat conductivity,and figure of merit for such thermoelectric materials are obtained by solving the nonlinear coupled transport equations of electricity and heat.It is found that the effective figure of merit of thermoelectric material containing spherical inclusions can be higher than that of each constituent in the absence of size effect and interface effect.Some interesting examples of actual thermoelectric composites with spherical inclusions,such as insulated cavities,inclusions subjected to conductive electric and heat exchange and thermoelectric inclusions,are considered,and the numerical results lead to the conclusion that considerable enhancement of the effective figure of merit is achievable by introducing inclusions.In this paper,we provide a theoretical foundation for analytically and computationally treating the thermoelectric composites with more complicated inclusion structures,and thus pointing out a new route to their design and optimization.
文摘A new module design concept that integrates materials engineering with thermoelectric module optimization is proposed.This concept transforms the gaps between thermoelements and couples into internal space/pores within the elements to eliminate heat loss and thus to enhance module performance.The effect of the internal pore structure on module performance was studied using two effective medium models.The modeling results demonstrated that the power generation of the proposed module design increased by~8%and the efficiency increased>20%compared to those of the traditional module design.The effect of the inclusion of the second solid phase in the composite on module performance was also studied using nine different high-efficiency thermoelectric materials as the inclusions.The modeling results showed that further increase in module performance up to~50%that of the traditional module design can be achieved.
基金NDW thanks the EPSRC DTP competition 2018-19 at the University of Huddersfield for funding(EP/R513234/1)JMS is currently supported by a UKRI Future Leaders Fellowship(MR/T043121/1)+2 种基金previously held a University of Manchester Presidential Fellowship.Calculations were performed on the Orion computing fa-cility and the Violeta HPC at the University of Huddersfield,and the THOMAS and YOUNG facilities at the UK Materials and Molecular Modelling Hub(MMM Hub)which is partially funded by the EPSRC(EP/P020194/1 and EP/T022213/1)via our membership of the UK’s HEC Materials Chemistry Consortium(MCC),which is also funded by the EPSRC(EP/R029431/1 and EP/X035859/1).
文摘A detailed computational investigation,based on density functional theory,of the interaction of polyani-line(PANI)and graphene nanoribbons(GNRs)with SrTiO_(3) is presented.The adsorption of PANI in var-ious oxidation states and co-adsorption with GNRs is found to be thermodynamically favourable.Ad-sorbed PANI introduces N and C 2p states into the SrTiO_(3) bandgap,while co-adsorption of PANI and GNRs leads to a bridging of the gap and semi-metallic behaviour,thus rendering the electrical properties highly sensitive to the loading of the GNRs/PANI in the composites.Modelling the lattice dynamics of the composites predicts a 68-88%reduction in the lattice thermal conductivity due to reduced phonon group velocities.Taken together,these findings provide insight into the growing number of experimental studies highlighting the enhanced thermoelectric performance of oxide-polymer composites and indicate co-adsorption with graphene as a facile direction for future research.
基金supported by the National Basic Research Program of China("973"Project)(Grant No.2013CB632506)the National Natural Science Foundation of China(Grant Nos.51328203,51221291&11234012)the Specialized Research Fund for the Doctoral Program of Higher Education(Grant No.20120002110006)
文摘The efficiency-upgrading role that La0.8Sr0.2CoO3 plays in the thermoelectric properties of Bi Cu Se O(BCSO) has been studied. LSCO was introduced into BCSO, increasing the electrical conductivity from 3.3 to 52.3 S cm^-1 at 303 K, from 35.8 to 97.3 S cm^-1 at 873 K; respectively. The Seebeck coefficient of all composites still holds around or more than 200 μV/K. Based on the enhanced electrical conductivity and high Seebeck coefficient, the power factor is enhanced by approximately 35%, with the best sample reaching a maximum value of 476.7 μ Wm^-1 K^-2 at 873 K. The lattice thermal conductivity of the nanocomposites is reduced as LSCO content increases from 15 vol% to 30 vol% due to the phonon scattering by nanoparticles and grain boundaries, resulting in a significant reduction in total thermal conductivity. In short, the enhanced thermoelectric figure of merit of 0.67 at 873 K for the sample containing 20 vol% LSCO as compared to 0.53 for the pure sample; announces the promising effect of LSCO on improving thermoelectric properties of Bi Cu Se O.