Theoretical Design of Highly Efficient 2D Thermoelectric Device Based on Janus MoSSe and Graphene Heterostructure

Kumar, Naveen; Sachdeva, Parrydeep Kaur; Gupta, Raveena; Bera, Chandan

doi:10.1021/acsaem.2c01204

Cited by 9 publications

(9 citation statements)

References 38 publications

(58 reference statements)

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“…In Figure d, we show ZT for the p-type and n-type as a function of E F . The maximum ZT value varies in the range 0.7–0.9 for the temperature range 300–900 K, which is larger than those of monolayer MoS 2 ( ZT ≈ 0.1), monolayer InSe ( ZT = 0.21), and the Janus MoSSe ( ZT = 0.0137) at the same temperature.…”

Section: Resultsmentioning

confidence: 81%

Janus γ-GeSSe Monolayer as a High-Performance Material for Photocatalysis and Thermoelectricity

Thanh

Truong

Hung

2023

ACS Appl. Energy Mater.

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Two-dimensional Janus materials have attracted increasing attention in recent years because of their potential as materials for energy applications, such as photocatalysis and thermoelectricity (TE). Here, for the first time, we propose a monolayer Janus structure with the Mexican-hat band, γ-GeSSe, by replacing the S atoms on one side of the synthesized γ-GeS with Se atoms. Using first-principles calculations based on density functional theory (DFT), we show that γ-GeSSe is mechanically, dynamically, and thermally stable. The mechanical, electronic, optical, and transport properties of monolayer Janus γ-GeSSe are also investigated in the DFT calculations. We find that the ideal strengths of the Janus γ-GeSSe are 6.08, 8.6, and 10.08 GPa for the armchair, zigzag, and biaxial directions, respectively. The Janus γ-GeSSe is an indirect-gap semiconductor with a band gap of 1.131 eV. Our results show the Janus γ-GeSSe as a photocatalysis material for water splitting with a high solar-tohydrogen efficiency of up to 28.78%. This is because the combination of features includes an intrinsic electric field, high optical absorption coefficient, and carrier mobility. In addition, with the γ-structure, the Janus γ-GeSSe shows an intrinsic low lattice thermal conductivity of 3.33 W/mK at room temperature, which will contribute to obtaining high TE efficiency. By using the Boltzmann transport theory, we find that the maximum TE power factor and figure of merit of the Janus γ-GeSSe reach 55−85 mW/mK 2 and 0.7−0.9 in the temperature range from 300 to 900 K, respectively. Thus, our findings not only contribute to proposing a Janus material but also suggest that it can be used as an energy material with high-performance photocatalysis and TE.

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Section: Resultsmentioning

confidence: 81%

Janus γ-GeSSe Monolayer as a High-Performance Material for Photocatalysis and Thermoelectricity

Thanh

Truong

Hung

2023

ACS Appl. Energy Mater.

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“…One is to investigate the thermal and electrical transport properties of graphene, especially the influence of graphene’s special edge carbon chain structure on phonon scattering and thermal conductivity regulation inside the material so as to optimize the TE properties of graphene [ 56 , 89 , 90 , 91 ]. However, research in this regard is a mostly theoretical calculation, and the actual application of graphene itself as a TE material is still a long way off [ 92 , 93 , 94 , 95 ]. Another kind is graphene composites with other materials in a proper way to form optimal TE materials [ 96 , 97 ].…”

Section: Two-dimensional (2d) Te Materialsmentioning

confidence: 99%

“…It should be noted that most MXene is metallic, but some MXene with M as Ti, Hf, Cr, Mo, Sr, Y, and W can exhibit semiconducting properties, so only these semiconducting MXene have some TE properties. In addition, due to the special structure of MXene, they are able to be made into n-type [ 93 , 110 , 111 , 112 ].…”

Section: Two-dimensional (2d) Te Materialsmentioning

confidence: 99%

Advances in Thermoelectric Composites Consisting of Conductive Polymers and Fillers with Different Architectures

Huo

Guo

2022

Molecules

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Stretchable wireless power is in increasingly high demand in fields such as smart devices, flexible robots, and electronic skins. Thermoelectric devices are able to convert heat into electricity due to the Seebeck effect, making them promising candidates for wearable electronics. Therefore, high-performance conductive polymer-based composites are urgently required for flexible wearable thermoelectric devices for the utilization of low-grade thermal energy. In this review, mechanisms and optimization strategies for polymer-based thermoelectric composites containing fillers of different architectures will be introduced, and recent advances in the development of such thermoelectric composites containing 0- to 3-dimensional filler components will be presented and outlooked.

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“…Recently, thermoelectric (TE) technology has attracted attention due to the need for portable and wearable electronic devices based on green energy harvesting. − The recently developed flexible TE materials can convert body heat into electricity, thereby showing great promise for application in wearable devices. Nevertheless, the attainment of good flexibility along with high TE properties remains a major challenge for TE composite materials. − …”

Section: Introductionmentioning

confidence: 99%

Enhanced Thermoelectric Properties and Flexibility of 2D Bi₂Si₂Te₆ Nanosheets and PEDOT:PSS-Based Thermoelectric Composites

Park

Kim

2023

ACS Appl. Polym. Mater.

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Herein, dimethyl sulfoxide (DMSO)-treated Bi 2 Si 2 Te 6 nanosheet (NS)/poly (3,4-ethylenedioxythiophene) polystyrene sulfonate (PE-DOT:PSS) composite films with enhanced thermoelectric (TE) properties and flexibility are prepared. First, the Bi 2 Si 2 Te 6 NSs for use as inorganic fillers are manufactured via a hydrothermal reaction to intercalate lithium, followed by exfoliation. The as-fabricated Bi 2 Si 2 Te 6 NS are then dispersed into the PEDOT:PSS, and Bi 2 Si 2 Te 6 NS/PEDOT:PSS composite films are fabricated via a drop-casting method. The as-synthesized Bi 2 Si 2 Te 6 NS/PEDOT:PSS composite shows an enhanced power factor due to the outstanding electrical conductivity and Seebeck coefficient of the Bi 2 Si 2 Te 6 NSs. Specifically, the composite film with 50 wt % Bi 2 Si 2 Te 6 NSs shows a maximum power factor of ∼140.4 μW/m•K 2 . Furthermore, the electrical conductivity of the Bi 2 Si 2 Te 6 NS/PEDOT:PSS composite was improved via post-synthetic treatment with DMSO. An enhanced power factor of ∼164.1 μW/m•K 2 was reached by using 50 wt % Bi 2 Si 2 Te 6 NS and 5 vol % of DMSO. The asprepared TE composite is expected to provide an important component for flexible organic/inorganic hybrid materials with enhanced TE performance.

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Theoretical Design of Highly Efficient 2D Thermoelectric Device Based on Janus MoSSe and Graphene Heterostructure

Cited by 9 publications

References 38 publications

Janus γ-GeSSe Monolayer as a High-Performance Material for Photocatalysis and Thermoelectricity

Janus γ-GeSSe Monolayer as a High-Performance Material for Photocatalysis and Thermoelectricity

Advances in Thermoelectric Composites Consisting of Conductive Polymers and Fillers with Different Architectures

Enhanced Thermoelectric Properties and Flexibility of 2D Bi₂Si₂Te₆ Nanosheets and PEDOT:PSS-Based Thermoelectric Composites

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Theoretical Design of Highly Efficient 2D Thermoelectric Device Based on Janus MoSSe and Graphene Heterostructure

Cited by 9 publications

References 38 publications

Janus γ-GeSSe Monolayer as a High-Performance Material for Photocatalysis and Thermoelectricity

Janus γ-GeSSe Monolayer as a High-Performance Material for Photocatalysis and Thermoelectricity

Advances in Thermoelectric Composites Consisting of Conductive Polymers and Fillers with Different Architectures

Enhanced Thermoelectric Properties and Flexibility of 2D Bi2Si2Te6 Nanosheets and PEDOT:PSS-Based Thermoelectric Composites

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Enhanced Thermoelectric Properties and Flexibility of 2D Bi₂Si₂Te₆ Nanosheets and PEDOT:PSS-Based Thermoelectric Composites