Strain-induced enhancement in the thermoelectric performance of a ZrS<sub>2</sub>monolayer

Lv, Huiying; Lu, W. J.; Shao, Ding-Fu; Lu, Hong‐Yan; Sun, Yimeng

doi:10.1039/c6tc01135g

Cited by 198 publications

(159 citation statements)

References 45 publications

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“…Thus we obtain a maximum ZT of 4.58 and 3.84 for p-and n-type doping at room temperature, respectively, which are larger than those of the case without strain. Furthermore, these results verify our expectation that at the optimal strain, the values of ZT for monolayer ZrSe 2 are larger than those of ZrS 2 (2.4 for p-type and 1.8 for n-type doping) 21 and HfS 2 (3.67 for p-type and 3.08 for ntype doping). 22 Above all, our studies indicate that the thermoelectric performance of a ZrSe 2 monolayer can be effectively enhanced by band valley engineering through the application of biaxial strain.…”

Section: Discussionsupporting

confidence: 78%

“…approach to tune the electronic band to achieve degeneracy. 21,22,[28][29][30][31] Consequently, on the one hand, the strain-induced band degeneracy increases the electronic transport performance, while on the other hand, the distortion of phonon dispersion may lower k L , both leading to an enhanced ZT. According to the most recent work, among the CdI 2 type monolayers of ZrX 2 and HfX 2 (X ¼ S, Se), ZrSe 2 shows the lowest lattice thermal conductivity.…”

Section: -11mentioning

confidence: 99%

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Strain-induced thermoelectric performance enhancement of monolayer ZrSe₂

Qin

Ding

et al. 2017

RSC Adv.

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was previously predicted to be one kind of excellent thermoelectric material due to its low lattice thermal conductivity. Motivated by the recent proposal of enhancing thermoelectric performance via strain-induced electronic band degeneracy, we have performed first-principles calculations on the effect of biaxial tensile strain on the thermoelectric properties of monolayer ZrSe 2 combined with Boltzmann transport theory and deformation potential theory. The theoretical results demonstrate that the band degeneracy reaches its maximum at 7.5% strain, resulting in an increase of the Seebeck coefficient and, at the same time, a decrease of the lattice thermal conductivity. At this optimal strain, a two-fold increase of the figure of merit is obtained for an n-doped ZrSe 2 monolayer at room temperature.Moreover, the figures of merit for p-and n-type doping are much more balanced in the strain case compared with the unstrained one.

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Section: Discussionsupporting

confidence: 78%

Section: -11mentioning

confidence: 99%

Strain-induced thermoelectric performance enhancement of monolayer ZrSe₂

Qin

Ding

et al. 2017

RSC Adv.

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“…Typically, the thermal conductivity of the TMDs from these groups has a similar dependence on the chalcogen atom species and increases from selenides to sulfides. The thermal conductivity of monolayer ZrSe 2 and HfSe 2 at room temperature is 1.2 and 1.8 W m −1 K −1 , respectively, which is lower than that of monolayer ZrS 2 , of around 3.2 W m −1 K −1 . Similarly, the thermal conductivity of monolayer PdS 2 is much larger than that of monolayer PdSe 2 .…”

Section: Thermal Properties In 2d Semiconductorsmentioning

confidence: 99%

Thermal Transport in 2D Semiconductors—Considerations for Device Applications

Zhao

Cai

Zhang

et al. 2019

Adv Funct Materials

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The discovery of graphene has stimulated the search for and investigations into other 2D materials because of the rich physics and unusual properties exhibited by many of these layered materials. Transition metal dichalcogenides (TMDs), black phosphorus, and SnSe among many others, have emerged to show highly tunable physical and chemical properties that can be exploited in a whole host of promising applications. Alongside the novel electronic and optical properties of such 2D semiconductors, their thermal transport properties have also attracted substantial attention. Here, a comprehensive review of the unique thermal transport properties of various emerging 2D semiconductors is provided, including TMDs, black‐ and blue‐phosphorene among others, and the different mechanisms underlying their thermal conductivity characteristics. The focus is placed on the phonon‐related phenomena and issues encountered in various applications based on 2D semiconductor materials and their heterostructures, including thermoelectric power generation and electron–phonon coupling effect in photoelectric and thermal transistor devices. A thorough understanding of phonon transport physics in 2D semiconductor materials to inform thermal management of next‐generation nanoelectronic devices is comprehensively presented along with strategies for controlling heat energy transport and conversion.

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“…2D group IVB materials exhibited excellent and unique thermal properties, especially under strain, which quite meet the requirements for thermoelectric devices. Therefore, 2D IVB materials have been widely explored and have made great progress in thermoelectric devices . However, the recent reports about 2D group IVB materials for thermoelectric devices are still limited to in theory works or working at low temperature, more works are necessary to boost the performance of thermoelectric devices based on 2D group IVB materials.…”

Section: Device Applicationsmentioning

confidence: 99%

2D Group IVB Transition Metal Dichalcogenides

Yan

Gong

Wangyang

et al. 2018

Adv Funct Materials

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Semiconductor technology is currently impaired by the surface dangling bond of materials, which introduces scattering and interface traps. 2D materials, especially transition metal dichalcogenides (TMDs) with different main groups, have settled this issue by utilizing unique atomically smooth surfaces and van der Waals (vdW) structures. Over the past few decades, many processes for exploring new materials, manipulating physical properties, and synthesizing single crystals have been developed. Among these 2D materials, group IVB TMDs are distinguished for their splendid physical properties, including ultrahigh mobility, charge density wave, superconducting transitions, etc. Here, the recent advances in group IVB TMDs are reviewed, which offer easy access to next generation nano-, opto-, thermal-electronic, energy storage and conversion applications. Both the advantages and challenges of these studies are summarized to further clarify existing problems.such as ZrSe 2 is up to 8000 µA µm −1 , which is 10 3 times higher than that of MoS 2 . [11] Group IVB TMDs are also promising thermoelectric materials for their enhanced thermoelectric performance with a high power factor such as TiS 2 . [12][13][14][15][16] These features indicate the great potential of group IVB TMDs for adoption into electronics. In addition, group IVB TMDs show fascinating electrochemical performances as hold materials [17][18][19] or electrodes [20,21] in catalysis [22,23] and batteries [24,25] (Figure 1). A breakthrough may be introduced in nanoelectronic and energy fields for ultrahigh performances and nontoxicity of 2D group IVB TMDs.In this review, we focus on the electronic structures of 1T-phase group IVB TMDs, the abundant properties of group IVB TMDs, and their applications in electronic devices. In particular, we start with the unique crystal structures and calculated electronic structures of 2D group IVB dichalcogenides. Then, the great properties and the current studies in electronic devices are reviewed with an emphasis on recently reported transistor and photodetectors based on group IVB TMD nanosheets. In the third part, the synthesis of group IVBs nanostructures is described. We review the current approaches for the isolation of ultrathin sheets and analyze the advantages and drawbacks of various preparation methods. At last, we present the challenges and future prospects of group IVB TMDs. Crystal and Electronic StructuresThe electronic structures of 2D TMDs strongly depend on their crystal structures and d-electron counts. Another crucial feature is the partially filled d bands of transition metals. Bulk TMDs are composed of ordered stacking monolayers connected by the weak van der Waals (vdW) interaction. This kind of layered material exists multifarious in polymorphs and commonly crystallize into three different structures in 1T, 2H, and 3R phases. For group IVB TMDs, 1T phase is more stable than 2H phase in reversal of group VIB TMDs due to their lower formation energies. [23] Figure 2a,b depicts the two typical structures o...

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Strain-induced enhancement in the thermoelectric performance of a ZrS₂monolayer

Abstract: The thermoelectric performance of the ZrS2monolayer is greatly enhanced by the biaxial tensile strain, due to the simultaneous increase of the Seebeck coefficient and decrease of the thermal conductivity.

Cited by 198 publications

References 45 publications

Strain-induced thermoelectric performance enhancement of monolayer ZrSe₂

Strain-induced thermoelectric performance enhancement of monolayer ZrSe₂

Thermal Transport in 2D Semiconductors—Considerations for Device Applications

2D Group IVB Transition Metal Dichalcogenides

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Strain-induced enhancement in the thermoelectric performance of a ZrS2monolayer

Abstract: The thermoelectric performance of the ZrS2monolayer is greatly enhanced by the biaxial tensile strain, due to the simultaneous increase of the Seebeck coefficient and decrease of the thermal conductivity.

Cited by 198 publications

References 45 publications

Strain-induced thermoelectric performance enhancement of monolayer ZrSe2

Strain-induced thermoelectric performance enhancement of monolayer ZrSe2

Thermal Transport in 2D Semiconductors—Considerations for Device Applications

2D Group IVB Transition Metal Dichalcogenides

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Product

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Strain-induced enhancement in the thermoelectric performance of a ZrS₂monolayer

Strain-induced thermoelectric performance enhancement of monolayer ZrSe₂

Strain-induced thermoelectric performance enhancement of monolayer ZrSe₂