| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Sajjad, Muhammad
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2024Superparamagnetic properties of metal-free nitrogen-doped graphene quantum dotscitations
- 2024Characterization of the heat transfer coefficient at near solidus forming condition using columnar pressing testcitations
- 2024V4C3 MXene: a Type-II Nodal Line Semimetal with Potential as High-Performing Anode Material for Mg-Ion Batterycitations
- 2023Understanding the Diffusion-Dominated Properties of MOF-Derived Ni–Co–Se/C on CuO Scaffold Electrode using Experimental and First Principle Studycitations
- 2023V4C3 MXene: a Type‐II Nodal Line Semimetal with Potential as High‐Performing Anode Material for Mg‐Ion Batterycitations
- 2022Theoretical Prediction and Thermal Transport Properties of Novel Monolayer TlPt<sub>2</sub>Se<sub>3</sub>citations
- 2020Epoxy Resin Nanocomposites: The Influence of Interface Modification on the Dispersion Structure—A Small-Angle-X-ray-Scattering Study
- 2018Triptycene as a supramolecular additive in PTB7:PCBM blends and its influence on photovoltaic propertiescitations
- 2017Quantum-corrected transient analysis of plasmonic nanostructurescitations
- 2013Large scale synthesis of single-crystal and polycrystalline boron nitride nanosheetscitations
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article
Theoretical Prediction and Thermal Transport Properties of Novel Monolayer TlPt<sub>2</sub>Se<sub>3</sub>
Abstract
<jats:title>Abstract</jats:title><jats:p>The theoretical prediction, electronic properties, and thermal transport properties of novel monolayer TlPt<jats:sub>2</jats:sub>Se<jats:sub>3</jats:sub> are investigated using the first‐principles calculations and semi‐classical Boltzmann transport theory. The calculated phonon band structure and exfoliation energy confirm that monolayer TlPt<jats:sub>2</jats:sub>Se<jats:sub>3</jats:sub> is a stable material and can be exfoliated from its bulk counterpart. The exfoliation energy of the monolayer turns out to be 37 meV Å<jats:sup>−2</jats:sup>, comparable with the exfoliation energy of monolayer PdSe<jats:sub>2</jats:sub>. The HSE06 indirect bandgap of monolayer (bulk) TlPt<jats:sub>2</jats:sub>Se<jats:sub>3</jats:sub> amounts to 1.18 eV (0.63 eV). The relaxation time is calculated considering three types of scattering mechanisms. The monolayer outperforms the bulk counterpart in the Seebeck coefficient and power factor for both <jats:italic>p</jats:italic>‐type and <jats:italic>n</jats:italic>‐type dopings. Monolayer TlPt<jats:sub>2</jats:sub>Se<jats:sub>3</jats:sub> shows a high <jats:italic>p</jats:italic>‐type Seebeck coefficient of 211 µV K<jats:sup>−1</jats:sup> compared to the <jats:italic>n</jats:italic>‐type Seebeck coefficient of 103 µV K<jats:sup>−1</jats:sup> at maximum considered temperature (600 K) and a carrier concentration (10<jats:sup>20</jats:sup> cm<jats:sup>−3</jats:sup>). The calculated lattice thermal conductivity of monolayer TlPt<jats:sub>2</jats:sub>Se<jats:sub>3</jats:sub> is 1.92 W m<jats:sup>−1</jats:sup> K<jats:sup>−1</jats:sup> at 600 K which is lower than the monolayer PtSe<jats:sub>2</jats:sub> and MoSe<jats:sub>2</jats:sub>. The <jats:italic>p</jats:italic>‐type figure of merit of 0.64 (at 600 K) affirms that the monolayer TlPt<jats:sub>2</jats:sub>Se<jats:sub>3</jats:sub> is an excellent thermoelectric material.</jats:p>