A review of recent progress in thermoelectric materials through computational methods

Moreno, José Julio Gutiérrez; Cao, Jiang; Fronzi, Marco; Assadi, M. Hussein N.

doi:10.1007/s40243-020-00175-5

Cited by 48 publications

(26 citation statements)

References 189 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In the quest for finding novel materials to meet/ enhance the thermoelectric (TE) conversion efficiency, several classes of compounds have been explored in the past decades. [1][2][3][4][5][6][7][8][9]11,12 Among these, ternary half-Heusler alloys (HHAs) have emerged as promising candidates for TE applications because of their reasonable band gap values, high Seebeck coefficient, and appealing transport properties. Interestingly, HHAs have the potential to replace some of the state of the art TE materials.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Over the past few years, thermoelectrics has emerged as an important research field that converts such waste heat into electricity. In the quest for finding novel materials to meet/enhance the thermoelectric (TE) conversion efficiency, several classes of compounds have been explored in the past decades. − ,, Among these, ternary half-Heusler alloys (HHAs) have emerged as promising candidates for TE applications because of their reasonable band gap values, high Seebeck coefficient, and appealing transport properties. Interestingly, HHAs have the potential to replace some of the state of the art TE materials. − In the recent past, there has been extensive effort to find new HHAs with promising TE properties.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Quasi-2D Carrier Transport in KMgBi for Promising Thermoelectric Performance

Vikram

Sahni

Jain

et al. 2022

ACS Appl. Energy Mater.

View full text Add to dashboard Cite

KMgBi is an interesting system with several unconventional electronic transport properties. Despite numerous studies exploring its topological trivial/nontrivial nature, it has never been studied from a thermoelectric (TE) perspective. Its band structure shows appropriate degenerate flat bands near the valence band edge that are useful for high thermopower. We also show that KMgBi acquires a high degree of anharmonicity that leads to low lattice thermal conductivity. This yields a high TE figure of merit, ZT ∼ 2.21 (p-type) at ∼600 K temperature. A careful analysis of electron and phonon dispersion establishes an interesting quasi-2D nature of KMgBi. Utilizing the flat degenerate valence band and strong spin−orbit coupling, we discuss how to further enhance the TE performance of KMgBi via alloy engineering. Substituting Li at K and As at Bi sites increases the band gap with little effect on the band curvature, further improving the TE performance. With 50% As alloying, we expect ∼10−11% enhancement in the ZT.

show abstract

Section: ■ Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Quasi-2D Carrier Transport in KMgBi for Promising Thermoelectric Performance

Vikram

Sahni

Jain

et al. 2022

ACS Appl. Energy Mater.

View full text Add to dashboard Cite

show abstract

“…TENGs that can convert various mechanical energies into electricity have experienced a rapid explosion since 2012 for their potential as a long‐term power supply for sensing networks [ 38 ] and wearable/portable electronics. [ 87 ] However, apart from mechanical energies, other energy forms, such as thermal, [ 88 ] solar, [ 89 ] magnetic, [ 90 ] piezo energies, [ 91 ] etc., can also be found in our ambient environment. To further increase the energy conversion efficiency or expand the application scenes of energy harvesters, hybrid energy harvesting technology involving TENGs has been developed and received a lot of interest.…”

Section: The Hybrid Systemmentioning

confidence: 99%

Liquid‐Interfaces‐Based Triboelectric Nanogenerator: An Emerging Power Generation Method from Liquid‐Energy Nexus

et al. 2022

Adv Energy and Sustain Res

View full text Add to dashboard Cite

As a state of matter, liquids exist in an extremely wide range, including water such as that in oceans and rivers, as well as various solutions, oils, liquid metals, etc. Due to the fluidity of liquids, the triboelectric effect based on them often shows unexpected results and can be used in complex environments. Herein, the latest research on working principles of the triboelectric effect at liquid–solid, liquid–liquid, and liquid–gas interfaces are reviewed. The factors affecting triboelectric charge generation and the output performance of liquid‐interfaces‐based TENGs (LI‐TENG) in terms of material, environment, and structure are systematically discussed. Besides, to harvest the ubiquitously existing energy in various forms, studies about the hybridization of LI‐TENG with other energy harvesters for syngeneic single‐source and multisource energy harvesting are also reviewed. Moreover, the performances of LI‐TENGs as energy harvesters and as novel sensors with various applications are reviewed. Finally, opportunities and challenges in the future development of LI‐TENG are discussed.

show abstract

“…Thermoelectric materials have recently gained extensive attention as a critical factor for thermoelectric technology. The figure of merit ZT can be directly used to visualize the thermoelectric conversion efficiency of thermoelectric materials and can be calculated by [ 4 , 5 , 6 , 7 ]:

where S stands for the Seebeck coefficient, σ is electrical conductivity, and T represents temperature.

is the thermal conductivity, consisting of both electronic and lattice parts.…”

Section: Introductionmentioning

confidence: 99%

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

et al. 2022

View full text Add to dashboard Cite

Strain engineering has attracted extensive attention as a valid method to tune the physical and chemical properties of two-dimensional (2D) materials. Here, based on first-principles calculations and by solving the semi-classical Boltzmann transport equation, we reveal that the tensile strain can efficiently enhance the thermoelectric properties of the GeS2 monolayer. It is highlighted that the GeS2 monolayer has a suitable band gap of 1.50 eV to overcome the bipolar conduction effects in materials and can even maintain high stability under a 6% tensile strain. Interestingly, the band degeneracy in the GeS2 monolayer can be effectually regulated through strain, thus improving the power factor. Moreover, the lattice thermal conductivity can be reduced from 3.89 to 0.48 W/mK at room temperature under 6% strain. More importantly, the optimal ZT value for the GeS2 monolayer under 6% strain can reach 0.74 at room temperature and 0.92 at 700 K, which is twice its strain-free form. Our findings provide an exciting insight into regulating the thermoelectric performance of the GeS2 monolayer by strain engineering.

show abstract

A review of recent progress in thermoelectric materials through computational methods

Cited by 48 publications

References 189 publications

Quasi-2D Carrier Transport in KMgBi for Promising Thermoelectric Performance

Quasi-2D Carrier Transport in KMgBi for Promising Thermoelectric Performance

Liquid‐Interfaces‐Based Triboelectric Nanogenerator: An Emerging Power Generation Method from Liquid‐Energy Nexus

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

Contact Info

Product

Resources

About