We investigate the nonlinear thermal transport properties of a single interacting quantum dot with two energy levels tunnel-coupled to two electrodes using nonequilibrium Green function method and Hartree-Fock decoupl...We investigate the nonlinear thermal transport properties of a single interacting quantum dot with two energy levels tunnel-coupled to two electrodes using nonequilibrium Green function method and Hartree-Fock decoupling approximation. In the case of asymmetric tunnel-couplings to two electrodes, for example, when the upper level of the quantum dot is open for transport, whereas the lower level is blocked, our calculations predict a strong asymmetry for the heat （energy） current, which shows that the quantum dot system may act as a thermal rectifier in this specific situation.展开更多
The thermoelectric properties of individual solution-phase synthesized p-type PbSe nanowires have been examined.The nanowires showed near degenerately doped charge carrier concentrations.Compared to the bulk,the PbSe ...The thermoelectric properties of individual solution-phase synthesized p-type PbSe nanowires have been examined.The nanowires showed near degenerately doped charge carrier concentrations.Compared to the bulk,the PbSe nanowires exhibited a similar Seebeck coefficient and a significant reduction in thermal conductivity in the temperature range 20 K to 300 K.Thermal annealing of the PbSe nanowires allowed their thermoelectric properties to be controllably tuned by increasing their carrier concentration or hole mobility.After optimal annealing,single PbSe nanowires exhibited a thermoelectric figure of merit(ZT)of 0.12 at room temperature.展开更多
Ionic thermoelectrics(i-TE) possesses great potential in powering distributed electronics because it can generate thermopower up to tens of millivolts per Kelvin. However,as ions cannot enter external circuit, the uti...Ionic thermoelectrics(i-TE) possesses great potential in powering distributed electronics because it can generate thermopower up to tens of millivolts per Kelvin. However,as ions cannot enter external circuit, the utilization of i-TE is currently based on capacitive charge/discharge, which results in discontinuous working mode and low energy density. Here,we introduce an ion–electron thermoelectric synergistic(IETS)effect by utilizing an ion–electron conductor. Electrons/holes can drift under the electric field generated by thermodiffusion of ions, thus converting the ionic current into electrical current that can pass through the external circuit. Due to the IETS effect, i-TE is able to operate continuously for over 3000 min.Moreover, our i-TE exhibits a thermopower of 32.7 mV K^(-1) and an energy density of 553.9 J m^(-2), which is more than 6.9 times of the highest reported value. Consequently, direct powering of electronics is achieved with i-TE. This work provides a novel strategy for the design of high-performance i-TE materials.展开更多
Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in ...Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in the linear response regime using Green＇s function formalism. We used thiol-terminated（–SH bond） benzene units and found a positive thermopower because the highest occupied molecular orbital（HOMO） is near the Fermi energy level. We investigated the influence of molecular length and molecular junction geometry on the thermoelectric properties. Our results show that the thermoelectric properties are highly sensitive to the coupling geometry and the molecular length. In addition, we observed that the interference effects and increasing molecular length can increase the thermoelectric efficiency of device in a specific configuration.展开更多
Based on the Green＇s function technique and the equation of motion approach, this paper theoretically studies the thermoelectric effect in parallel coupled double quantum dots （DQDs）, in which Rashba spin-orbit int...Based on the Green＇s function technique and the equation of motion approach, this paper theoretically studies the thermoelectric effect in parallel coupled double quantum dots （DQDs）, in which Rashba spin-orbit interaction is taken into account. Rashba spin^rbit interaction contributions, even in a magnetic field, are exhibited obviously in the double quantum dots system for the thermoelectric effect. The periodic oscillation of thermopower can be controlled by tunning the Rashba spin^rbit interaction induced phase. The interesting spin-dependent thermoelectric effects will arise which has important influence on thermoelectric properties of the studied system.展开更多
A measure for the efficiency of a thermoelectric material is the figure of merit defined by ZT = S2T/ρκ, where S, ρ and κ are the electronic transport coefficients, Seebeck coefficient, electrical resistivity and ...A measure for the efficiency of a thermoelectric material is the figure of merit defined by ZT = S2T/ρκ, where S, ρ and κ are the electronic transport coefficients, Seebeck coefficient, electrical resistivity and thermal conductiviy, respectively. T is the absolute temperature. Large values for ZT have been realized in nanostructured materials such as superlattices, quantum dots, nanocomposites, and nanowires. In order to achieve further progress, (1) a fundamental understanding of the carrier transport in nanocomposites is necessary, and (2) effective experimental methods for designing, producing and measuring new material compositions with nanocomposite-structures are to be applied. During the last decades, a series of formulas has been derived for calculation of the electronic transport coefficients in composites and disordered alloys. Along the way, some puzzling phenomenons have been solved as why there are simple metals with positive thermopower? and what is the reason for the phenomenon of the “Giant Hall effect”? and what is the reason for the fact that amorphous composites can exist at all? In the present review article, (1), formulas will be presented for calculation of σ = (1/ρ), κ, S, and R in composites. R, the Hall coefficient, provides additional informations about the type of the dominant electronic carriers and their densities. It will be shown that these formulas can also be applied successfully for calculation of S, ρ, κ and R in nanocomposites if certain conditions are taken into account. Regarding point (2) we shall show that the combinatorial development of materials can provide unfeasible results if applied noncritically.展开更多
We study the spin-dependent thermopower in a double-quantum-dot(DQD) embedded between the left and right two-dimensional electron gases(2DEGs) in doped quantum wells under an in-plane magnetic field. When the separati...We study the spin-dependent thermopower in a double-quantum-dot(DQD) embedded between the left and right two-dimensional electron gases(2DEGs) in doped quantum wells under an in-plane magnetic field. When the separation between the DQD is smaller than the Fermi wavelength in the 2DEGs, the asymmetry in the dots' energy levels leads to pronounced quantum interference effects characterized by the Dicke line-shape of the conductance, which are sensitive to the properties of the 2DEGs. The magnitude of the thermopower, which denotes the generated voltage in response to an infinitesimal temperature difference between the two 2DEGs under vanishing charge current, will be obviously enhanced by the Dicke effect. The application of the in-plane magnetic field results in the polarization of the spin-up and spin-down conductances and thermopowers, and enables an efficient spin-filter device in addition to a tunable pure spin thermopower in the absence of its charge counterpart.展开更多
We investigate the thermodynamics properties of mesoscopic quantum nanowire devices, such as the effect of electron-phonon relaxation time, Peltier coefficient, carrier concentration, frequency of this field, and chan...We investigate the thermodynamics properties of mesoscopic quantum nanowire devices, such as the effect of electron-phonon relaxation time, Peltier coefficient, carrier concentration, frequency of this field, and channel width. The influence of time-varying fields on the transport through such device has been taken into consideration. This device is modelled as nanowires connecting to two reservoirs. The two-dimensional electron gas in a GaAs- AlGaAs heterojunction has a Fermi wave length which is a hundred times larger than that in a metal. The results show the oscillatory behaviour of dependence of the thermo power on frequency of the induced field. These results agree with the existing experiments and may be important for electronic nanodevices.展开更多
In this study, the thermoelectric properties of pyrene molecule doped with boron and nitrogen atom at different sites of molecule are investigated using density functional theory and none-equilibrium Greens function f...In this study, the thermoelectric properties of pyrene molecule doped with boron and nitrogen atom at different sites of molecule are investigated using density functional theory and none-equilibrium Greens function formalism in the linear response regime. Our calculations show that when the impurities are added to the edge of the molecule, the anti-resonant peaks will appear in the transmission diagram in the vicinity of the Fermi energy level. So it increases the thermoelectric figure of merit of the system in comparison with the one that the impurity is located in the center of molecule. Additionally, the seebeck coefficient signs are not the same among the B, N, and N ＆ B doped devices, indicating that the types of the carriers can be changed with different types of doping.展开更多
基金Supported by the National Natural Science Foundation of China, the Shanghai Municipal Commission of Science and Technology, the Shanghai Pujiang Programme, and the Programme for New Century Excellent Talents in University （NCET）.
文摘We investigate the nonlinear thermal transport properties of a single interacting quantum dot with two energy levels tunnel-coupled to two electrodes using nonequilibrium Green function method and Hartree-Fock decoupling approximation. In the case of asymmetric tunnel-couplings to two electrodes, for example, when the upper level of the quantum dot is open for transport, whereas the lower level is blocked, our calculations predict a strong asymmetry for the heat （energy） current, which shows that the quantum dot system may act as a thermal rectifier in this specific situation.
文摘The thermoelectric properties of individual solution-phase synthesized p-type PbSe nanowires have been examined.The nanowires showed near degenerately doped charge carrier concentrations.Compared to the bulk,the PbSe nanowires exhibited a similar Seebeck coefficient and a significant reduction in thermal conductivity in the temperature range 20 K to 300 K.Thermal annealing of the PbSe nanowires allowed their thermoelectric properties to be controllably tuned by increasing their carrier concentration or hole mobility.After optimal annealing,single PbSe nanowires exhibited a thermoelectric figure of merit(ZT)of 0.12 at room temperature.
基金financially supported by research grants from the Natural Science Foundation of China [Grant No. 62074022 (K.S.), 12004057 (Y.J.Z.), 52173235 (M.L.)]the Natural Science Foundation of Chongqing [cstc2021jcyj-jqX0015 (K.S.)]+3 种基金Chongqing Talent Plan [cstc2021ycjh-bgzxm0334 (S.S.C.), CQYC2021059206 (K.S.)]Fundamental Research Funds for the Central Universities [No. 2020CDJQY-A055 (K.S.)]the Key Laboratory of Low-grade Energy Utilization Technologies and Systems [Grant No. LLEUTS-201901 (K.S.)]support from Chongqing Postgraduate Research and Innovation Project (CYS22032)。
文摘Ionic thermoelectrics(i-TE) possesses great potential in powering distributed electronics because it can generate thermopower up to tens of millivolts per Kelvin. However,as ions cannot enter external circuit, the utilization of i-TE is currently based on capacitive charge/discharge, which results in discontinuous working mode and low energy density. Here,we introduce an ion–electron thermoelectric synergistic(IETS)effect by utilizing an ion–electron conductor. Electrons/holes can drift under the electric field generated by thermodiffusion of ions, thus converting the ionic current into electrical current that can pass through the external circuit. Due to the IETS effect, i-TE is able to operate continuously for over 3000 min.Moreover, our i-TE exhibits a thermopower of 32.7 mV K^(-1) and an energy density of 553.9 J m^(-2), which is more than 6.9 times of the highest reported value. Consequently, direct powering of electronics is achieved with i-TE. This work provides a novel strategy for the design of high-performance i-TE materials.
文摘Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in the linear response regime using Green＇s function formalism. We used thiol-terminated（–SH bond） benzene units and found a positive thermopower because the highest occupied molecular orbital（HOMO） is near the Fermi energy level. We investigated the influence of molecular length and molecular junction geometry on the thermoelectric properties. Our results show that the thermoelectric properties are highly sensitive to the coupling geometry and the molecular length. In addition, we observed that the interference effects and increasing molecular length can increase the thermoelectric efficiency of device in a specific configuration.
基金supported by the Scientific Research Fund of Heilongjiang Provincial Education Department of China (GrantNo. 11551145)
文摘Based on the Green＇s function technique and the equation of motion approach, this paper theoretically studies the thermoelectric effect in parallel coupled double quantum dots （DQDs）, in which Rashba spin-orbit interaction is taken into account. Rashba spin^rbit interaction contributions, even in a magnetic field, are exhibited obviously in the double quantum dots system for the thermoelectric effect. The periodic oscillation of thermopower can be controlled by tunning the Rashba spin^rbit interaction induced phase. The interesting spin-dependent thermoelectric effects will arise which has important influence on thermoelectric properties of the studied system.
文摘A measure for the efficiency of a thermoelectric material is the figure of merit defined by ZT = S2T/ρκ, where S, ρ and κ are the electronic transport coefficients, Seebeck coefficient, electrical resistivity and thermal conductiviy, respectively. T is the absolute temperature. Large values for ZT have been realized in nanostructured materials such as superlattices, quantum dots, nanocomposites, and nanowires. In order to achieve further progress, (1) a fundamental understanding of the carrier transport in nanocomposites is necessary, and (2) effective experimental methods for designing, producing and measuring new material compositions with nanocomposite-structures are to be applied. During the last decades, a series of formulas has been derived for calculation of the electronic transport coefficients in composites and disordered alloys. Along the way, some puzzling phenomenons have been solved as why there are simple metals with positive thermopower? and what is the reason for the phenomenon of the “Giant Hall effect”? and what is the reason for the fact that amorphous composites can exist at all? In the present review article, (1), formulas will be presented for calculation of σ = (1/ρ), κ, S, and R in composites. R, the Hall coefficient, provides additional informations about the type of the dominant electronic carriers and their densities. It will be shown that these formulas can also be applied successfully for calculation of S, ρ, κ and R in nanocomposites if certain conditions are taken into account. Regarding point (2) we shall show that the combinatorial development of materials can provide unfeasible results if applied noncritically.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61274101,51362031,and 11675023)the Innovation Development Fund of China Academy of Engineering Physics(CAEP)(Grant No.ZYCX1921-02)+2 种基金the Presidential Foundation of CAEP(Grant No.YZ2015014)the Initial Project of University of Electronic Science and Technology of China,Zhongshan Institute(Grant No.415YKQ02)Science and Technology Bureau of Zhongshan,China(Grant Nos.417S26 and 180809162197886)
文摘We study the spin-dependent thermopower in a double-quantum-dot(DQD) embedded between the left and right two-dimensional electron gases(2DEGs) in doped quantum wells under an in-plane magnetic field. When the separation between the DQD is smaller than the Fermi wavelength in the 2DEGs, the asymmetry in the dots' energy levels leads to pronounced quantum interference effects characterized by the Dicke line-shape of the conductance, which are sensitive to the properties of the 2DEGs. The magnitude of the thermopower, which denotes the generated voltage in response to an infinitesimal temperature difference between the two 2DEGs under vanishing charge current, will be obviously enhanced by the Dicke effect. The application of the in-plane magnetic field results in the polarization of the spin-up and spin-down conductances and thermopowers, and enables an efficient spin-filter device in addition to a tunable pure spin thermopower in the absence of its charge counterpart.
文摘We investigate the thermodynamics properties of mesoscopic quantum nanowire devices, such as the effect of electron-phonon relaxation time, Peltier coefficient, carrier concentration, frequency of this field, and channel width. The influence of time-varying fields on the transport through such device has been taken into consideration. This device is modelled as nanowires connecting to two reservoirs. The two-dimensional electron gas in a GaAs- AlGaAs heterojunction has a Fermi wave length which is a hundred times larger than that in a metal. The results show the oscillatory behaviour of dependence of the thermo power on frequency of the induced field. These results agree with the existing experiments and may be important for electronic nanodevices.
文摘In this study, the thermoelectric properties of pyrene molecule doped with boron and nitrogen atom at different sites of molecule are investigated using density functional theory and none-equilibrium Greens function formalism in the linear response regime. Our calculations show that when the impurities are added to the edge of the molecule, the anti-resonant peaks will appear in the transmission diagram in the vicinity of the Fermi energy level. So it increases the thermoelectric figure of merit of the system in comparison with the one that the impurity is located in the center of molecule. Additionally, the seebeck coefficient signs are not the same among the B, N, and N ＆ B doped devices, indicating that the types of the carriers can be changed with different types of doping.
