Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides

Sargın, Gözde Özbal; Senger, R. T.; Sevik, Cem; Sevinçli, Hâldun

doi:10.1103/physrevb.100.085415

Cited by 73 publications

(81 citation statements)

References 90 publications

(60 reference statements)

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“…Such low lattice thermal conductivities originate from large buckling heights because flexural phonons have more scattering channels in buckled structures and consequently less contribution to heat transport. The calculated values are smaller than those of -Bi (3.8) 52 , Bi Te (1.1) 53 , MoS (1.03), MoSe (0.72), MoTe (0.54), WS (0.83), WSe (0.66), WTe (0.50), TiS (0.95), TiSe (0.95), and TiTe (0.70 Wm K ) 54 , making them potential candidates for thermoelectric applications. Figure 5 (c) also shows that the lattice thermal conductivities of X YH are gradually saturated and tend to constant values.…”

Section: Resultsmentioning

confidence: 86%

“…Also, the maximum ZT obtained for Si ASH and Si PH are 2.02 and 1.94, respectively, which exceed the standard of applicable TE materials. Thus, Si YH monolayers are obviously more efficient than the traditional TE materials such as Bi Te 53 , 54 . Their excellent performances are attributed to their large power factors and ultralow lattice thermal conductivities.…”

Section: Resultsmentioning

confidence: 99%

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Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Mohebpour

Mozvashi

Vishkayi

et al. 2021

Sci Rep

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Ever since global warming emerged as a serious issue, the development of promising thermoelectric materials has been one of the main hot topics of material science. In this work, we provide an in-depth understanding of the thermoelectric properties of X$$_2$$ 2 YH$$_2$$ 2 monolayers (X=Si, Ge; Y=P, As, Sb, Bi) using the density functional theory combined with the Boltzmann transport equation. The results indicate that the monolayers have very low lattice thermal conductivities in the range of 0.09−0.27 Wm$$^{-1}$$ - 1 K$$^{-1}$$ - 1 at room temperature, which are correlated with the atomic masses of primitive cells. Ge$$_2$$ 2 PH$$_2$$ 2 and Si$$_2$$ 2 SbH$$_2$$ 2 possess the highest mobilities for hole (1894 cm$$^2$$ 2 V$$^{-1}$$ - 1 s$$^{-1}$$ - 1 ) and electron (1629 cm$$^2$$ 2 V$$^{-1}$$ - 1 s$$^{-1}$$ - 1 ), respectively. Si$$_2$$ 2 BiH$$_2$$ 2 shows the largest room-temperature figure of merit, $$ZT=2.85$$ Z T = 2.85 in the n-type doping ( $$\sim 3\times 10^{12}$$ ∼ 3 × 10 12 cm$$^{-2}$$ - 2 ), which is predicted to reach 3.49 at 800 K. Additionally, Si$$_2$$ 2 SbH$$_2$$ 2 and Si$$_2$$ 2 AsH$$_2$$ 2 are found to have considerable ZT values above 2 at room temperature. Our findings suggest that the mentioned monolayers are more efficient than the traditional thermoelectric materials such as Bi$$_2$$ 2 Te$$_3$$ 3 and stimulate experimental efforts for novel syntheses and applications.

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Section: Resultsmentioning

confidence: 86%

Section: Resultsmentioning

confidence: 99%

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Mohebpour

Mozvashi

Vishkayi

et al. 2021

Sci Rep

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show abstract

“…For comparison, we have listed the room temperature ZT values for pristine 1L TMDCs obtained via our scattering calculations along with values reported in the literature Refs. [21,22].…”

Section: B Power Factor and Zt Values In Tmdc Heterostructuresmentioning

confidence: 99%

“…A (B) 300 K 500 K 800 K 300 K 500 K 800 K A ZT1L ZT1L [21] ZT1L [22] MoS2 (WS2) ). An analogous mechanism explains the enhancement observed in p-type MoSe 2 (WSe 2 ), which has the highest room temperature ZT value amongst the p-type heterostructures.…”

Section: Band Alignments and The Thermoelectric Enhancementmentioning

confidence: 99%

“…However, it has limited thermoelectric applications due to an extremely high thermal conductivity (2000 − 4000 Wm −1 K −1 for freely suspended samples at room temperature [18,19]). In comparison, monolayer (1L) TMDCs maintain a very low thermal conductance due to significantly lower phonon mean-free paths [20,21]. Hence, TMDCs have tremendous potential to realize in-plane thermoelectric and Peltier cooling devices.…”

mentioning

confidence: 99%

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Lateral transition metal dichalcogenide heterostructures for high efficiency thermoelectric devices

Bharadwaj¹,

Ramasubramaniam²,

Ram‐Mohan³

2020

Preprint

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Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcogenides (TMDC) have emerged as promising candidates for thermoelectric applications due to their large effective mass and low thermal conductivity. In this article, we study the thermoelectric performance of lateral TMDC heterostructures within a multiscale quantum transport framework. Both n-type and p-type lateral heterostructures are considered for all possible combinations of semiconducting TMDCs: MoS2, MoSe2, WS2, and WSe2. The band alignment between these materials is found to play a crucial in enhancing the thermoelectric figure-of-merit (ZT ) and power factor far beyond those of pristine TMDCs. In particular, we show that the room-temperature ZT value of n-type WS2 with WSe2 triangular inclusions, is five times larger than the pristine WS2 monolayer. p-type MoSe2 with WSe2 inclusions is also shown to have a room-temperature ZT value about two times larger than the pristine MoSe2 monolayer. The peak power factor values calculated here, are the highest reported amongst gapped 2D monolayers at room temperature. Hence, 2D lateral TMDC heterostructures open new avenues to develop ultra-efficient, planar thermoelectric devices.

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An Innovative Design for the Fabrication of Flexible Composite Films from Si₃N₄ Fiber Paper

et al. 2023

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A high‐temperature‐resistant flexible substrate is a critical component of high‐performance flexible electronic components. Herein, a method that does not require flowing gas and which is suitable for volume production is presented for the preparation of several‐millimeter‐long silicon nitride (Si3N4) fibers with a cross‐sectional dimension of 0.1–1.0 μm. Further, a square sheet of paper with a weight of 0.050 g, side lengths of 105 mm each, and thickness of 15 μm is fabricated using the Si3N4 fibers via a conventional laboratory paper‐making method. Subsequently, the Si3N4 paper is coated with an LaNiO3 sol using a blade‐coating machine, dried at 80 °C for 10 min, and then annealed at 650 °C for 60 min to prepare Si3N4 fiber paper/LaNiO3 composite films to evaluate the feasibility of applying the paper as a substrate for fabricating flexible functional films. The experimental results confirm that the Si3N4 fiber paper has excellent high‐temperature resistance during annealing in air, and the Si3N4 paper/LaNiO3 composite film presents excellent flexibility and conductivity. Thus, membranous flexible electronic components can be fabricated from Si3N4 fiber paper/LaNiO3 paper by a regular high‐temperature annealing process.

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Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides

Cited by 73 publications

References 90 publications

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Lateral transition metal dichalcogenide heterostructures for high efficiency thermoelectric devices

An Innovative Design for the Fabrication of Flexible Composite Films from Si₃N₄ Fiber Paper

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Ballistic thermoelectric properties of monolayer semiconducting transition metal dichalcogenides and oxides

Cited by 73 publications

References 90 publications

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Thermoelectric characteristics of X$$_2$$YH$$_2$$ monolayers (X=Si, Ge; Y=P, As, Sb, Bi): a first-principles study

Lateral transition metal dichalcogenide heterostructures for high efficiency thermoelectric devices

An Innovative Design for the Fabrication of Flexible Composite Films from Si3N4 Fiber Paper

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Product

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An Innovative Design for the Fabrication of Flexible Composite Films from Si₃N₄ Fiber Paper