Remarkable intrinsic ZT in the 2D PtX2(X = O, S, Se, Te) monolayers at room temperature

Zhang, Jun; Xie, Yuee; Shao, Hezhu

doi:10.1016/j.apsusc.2020.147387

Cited by 37 publications

(19 citation statements)

References 64 publications

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“…2 and Table 1, these results indicate that the PtS 2 single layer is a semiconductor with an indirect energy gap of 2.67 eV, which approximates the bandgap values of PtS 2 from 2.64 eV to 2.83 eV in previous studies. 53,55,56 Moreover, the BN single-layer is a semiconductor with a direct gap of 5.69 eV, in accord with the measured value of 5.56 eV. 54 Thus, this is the appropriate approach for calculating the band gaps using the HSE06 functional.…”

Section: Electronic Propertiessupporting

confidence: 63%

A two-dimensional PtS₂/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

Wang

Yuan

Yang

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Electronic Propertiessupporting

confidence: 63%

A two-dimensional PtS₂/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

Wang

Yuan

Yang

et al. 2022

Phys. Chem. Chem. Phys.

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“…At 600 K, the ptype pentagonal PtS 2 and PtSe 2 have the zT values of up to 1.46 (x direction) and 3.42 (x direction), while the pentagonal PtTe 2 shows the largest zT value, which is 5.03 (x direction). For these three materials, the largest zT of them is 2.68 (y direction) of the pentagonal PtTe 2 monolayer at 600 K. For the p-type pentagonal PtTe 2 monolayer, from 300 to 600 K, the zT value of the pentagonal PtTe 2 monolayer increased from 2.60 to 5.03 along x directions, which is better than the hexagonal PtTe 2 monolayer (zT = 1.65 at 300 K) 60 and PbI 2 monolayer (zT = 3.15 at 600 K). 61 Overall, our studies establish that the pentagonal PtTe 2 monolayer is a good p-type semiconductor thermoelectric material at high temperatures.…”

Section: Computational Detailsmentioning

confidence: 90%

Anisotropic Thermoelectric Materials: Pentagonal PtM₂ (M = S, Se, Te)

Tao

Zhao

Zeng

et al. 2021

ACS Appl. Mater. Interfaces

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We here report a new pentagonal network structure of the PtM2 (M = S, Se, Te) monolayers with the P21/c (no. 14) space group. The electronic structure and thermoelectric properties of the pentagonal PtM2 monolayers are calculated through the VASP and BoltzTraP codes. We verify their dynamic and thermodynamic stabilities by calculating their phonon spectra and simulating ab initio molecular dynamics. It is found that the new material belongs to the medium-wide indirect band gap semiconductors from the PBE and HSE06 methods. At 300 K, the lattice thermal conductivities (K l) of the pentagonal PtTe2 in the x and y directions are the smallest among these three materials, being 1.77 and 5.17 W/m K, respectively. The anisotropic zT values (2.60/1.14) in the x/y direction of the pentagonal PtTe2 at 300 K are much greater than those of the pentagonal PtSe2 (1.75/0.82) and the pentagonal PtS2 (0.58/0.16) at 300 K. Importantly, the p-type pentagonal PtTe2 also has excellent thermoelectric properties at 600 K, with a zT value of 5.03 in the x direction, indicating that the p-type pentagonal PtTe2 has a good application potential in the thermoelectric field.

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“…In particular, atomic-scale materials exhibiting a TE effect have great potential as ideal platforms for small-scale energy harvesting and microcooling. Two-dimensional (2D) transition metal dichalcogenides (TMDCs), such as MoX 2 (X = S and Se), , WX 2 (X = S and Se), , and PtX 2 (X = S, Se, and Te), − are considered as promising materials for TE applications due to their large energy band gaps and atomically thin layers. The ZT of these materials can be improved by increasing their thermopower caused by quantum confinement in the interlayer direction of atomic-scale TMDC layer structures.…”

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confidence: 99%

Interface-Induced Seebeck Effect in PtSe₂/PtSe₂ van der Waals Homostructures

et al. 2022

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The Seebeck effect refers to the production of an electric voltage when different temperatures are applied on a conductor, and the corresponding voltage-production efficiency is represented by the Seebeck coefficient. We report a Seebeck effect: thermal generation of driving voltage from the heat flowing in a thin PtSe2/PtSe2 van der Waals homostructure at the interface. We refer to the effect as the interface-induced Seebeck effect. By exploiting this effect by directly attaching multilayered PtSe2 over high-resistance PtSe2 thin films as a hybridized single structure, we obtained the highly challenging in-plane Seebeck coefficient of the PtSe2 films that exhibit extremely high resistances. This direct attachment further enhanced the in-plane thermal Seebeck coefficients of the PtSe2/PtSe2 van der Waals homostructure on sapphire substrates. Consequently, we successfully enhanced the in-plane Seebeck coefficients for the PtSe2 (10 nm)/PtSe2 (2 nm) homostructure approximately 42% compared to that of a pure PtSe2 (10 nm) layer at 300 K. These findings represent a significant achievement in understanding the interface-induced Seebeck effect and provide an effective strategy for promising large-area thermoelectric energy harvesting devices using two-dimensional transition metal dichalcogenide materials, which are ideal thermoelectric platforms with high figures of merit.

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Remarkable intrinsic ZT in the 2D PtX2(X = O, S, Se, Te) monolayers at room temperature

Cited by 37 publications

References 64 publications

A two-dimensional PtS₂/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

A two-dimensional PtS₂/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

Anisotropic Thermoelectric Materials: Pentagonal PtM₂ (M = S, Se, Te)

Interface-Induced Seebeck Effect in PtSe₂/PtSe₂ van der Waals Homostructures

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Remarkable intrinsic ZT in the 2D PtX2(X = O, S, Se, Te) monolayers at room temperature

Cited by 37 publications

References 64 publications

A two-dimensional PtS2/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

A two-dimensional PtS2/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

Anisotropic Thermoelectric Materials: Pentagonal PtM2 (M = S, Se, Te)

Interface-Induced Seebeck Effect in PtSe2/PtSe2 van der Waals Homostructures

Contact Info

Product

Resources

About

A two-dimensional PtS₂/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

A two-dimensional PtS₂/BN heterostructure as an S-scheme photocatalyst with enhanced activity for overall water splitting

Anisotropic Thermoelectric Materials: Pentagonal PtM₂ (M = S, Se, Te)

Interface-Induced Seebeck Effect in PtSe₂/PtSe₂ van der Waals Homostructures