Significantly enhanced thermoelectric performance of molecular junctions by the twist angle dependent phonon interference effect

2020 ◽  
Vol 8 (23) ◽  
pp. 11884-11891 ◽  
Author(s):  
Yu-Jia Zeng ◽  
Dan Wu ◽  
Xuan-Hao Cao ◽  
Ye-Xin Feng ◽  
Li-Ming Tang ◽  
...  
Keyword(s):  
Interference Effect ◽  
Twist Angle ◽  
Thermal Conductance ◽  
Molecular Junctions ◽  
Thermoelectric Performance ◽  
Phonon Thermal Conductance

The twist angle can induce phonon interference effect in the intermediately coupled molecular junctions and significantly suppress phonon thermal conductance.

The influence of flaws on phonon thermal conductance in a dielectric quantum wire

2007 ◽  
Vol 40 (22) ◽  
pp. 7159-7165 ◽  
Author(s):  
Yan Wang ◽  
Ling-Ling Wang ◽  
Li-Ming Tang ◽  
BS Zou ◽  
Li-Hua Zhao
Keyword(s):  
Quantum Wire ◽  
Thermal Conductance ◽  
Phonon Thermal Conductance

Enhanced thermoelectric properties in nanowires of InAs modulated with multiple-stub structures

2019 ◽  
Vol 9 (5) ◽  
pp. 498-502
Author(s):  
Changning Pan ◽  
Jun He ◽  
Zhiming Liu ◽  
Kaixing Shi
Keyword(s):  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Thermal Conductance ◽  
Volume Ratio ◽  
Electronic Density ◽  
Energy Filtering ◽  
Carrier Energy ◽  
Inas Nanowires ◽  
Scattering Matrix Method ◽  
Phonon Thermal Conductance

The thermoelectric properties of InAs nanowires modulated with the multiple-stub structures are studied using the scattering-matrix method. Owing to the very large surface-to-volume ratio, both the phonon and electron transport sensitively depend on the geometric structure. Carrier energy filtering which locally distorts electronic density of states strongly enhances the thermopower. Thus optimized thermopower, together with the significant reduction of the phonon thermal conductance, yields the high thermoelectric figure of merit ZT to 0.3∼1.9.

scholarly journals High cross-plane thermoelectric performance of metallo-porphyrin molecular junctions

2017 ◽  
Vol 19 (26) ◽  
pp. 17356-17359 ◽  
Author(s):  
Mohammed Noori ◽  
Hatef Sadeghi ◽  
Qusiy Al-Galiby ◽  
Steven W. D. Bailey ◽  
Colin J. Lambert
Keyword(s):  
Metal Ions ◽  
Thermoelectric Properties ◽  
Divalent Metal ◽  
Molecular Junctions ◽  
Thermoelectric Performance ◽  
Gold Electrodes ◽  
Divalent Metal Ions

We investigated the thermoelectric properties of flat-stacked 5,15-diphenylporphyrins containing divalent metal ions Ni, Co, Cu or Zn, which are strongly coordinated with the nitrogens of pyridyl coated gold electrodes.

scholarly journals Molecular Junctions Enhancing Thermal Transport within Graphene Polymer Nanocomposite: A Molecular Dynamics Study

Nanomaterials ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 2480
Author(s):  
Alessandro Di Pierro ◽  
Bohayra Mortazavi ◽  
Alberto Fina
Keyword(s):  
Molecular Dynamics ◽  
Polymer Matrix ◽  
Thermal Transport ◽  
Strong Dependence ◽  
Thermal Conductance ◽  
Polymer Nanocomposite ◽  
Molecular Junctions ◽  
Tight Contact ◽  
Thermally Conductive ◽  
Dynamics Simulations

Thermal conductivity of polymer-based (nano)composites is typically limited by thermal resistances occurring at the interfaces between the polymer matrix and the conductive particles as well as between particles themselves. In this work, the adoption of molecular junctions between thermally conductive graphene foils is addressed, aiming at the reduction of the thermal boundary resistance and eventually lead to an efficient percolation network within the polymer nanocomposite. This system was computationally investigated at the atomistic scale, using classical Molecular Dynamics, applied the first time to the investigation of heat transfer trough molecular junctions within a realistic environment for a polymer nanocomposite. A series of Molecular Dynamics simulations were conducted to investigate the thermal transport efficiency of molecular junctions in polymer tight contact, to quantify the contribution of molecular junctions when graphene and the molecular junctions are surrounded by polydimethylsiloxane (PDMS) molecules. A strong dependence of the thermal conductance was found in PDMS/graphene model, with best performances obtained with short and conformationally rigid molecular junctions. Furthermore, the adoption of the molecular linkers was found to contribute additionally to the thermal transport provided by the surrounding polymer matrix, demonstrating the possibility of exploiting molecular junctions in composite materials.

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