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• W4386617792 endingPage "21936" @default.
• W4386617792 startingPage "21925" @default.
• W4386617792 abstract "Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent contacts, and thin-film transistors. In comparison to oxide counterparts, chalcogenides have demonstrated higher mobility and p-type dopability, owing to larger orbital overlaps between metal-X covalent chemical bondings and higher-energy valence bands derived by p-orbitals. Despite the potential of chalcogenides, the number of successfully synthesized compounds remains relatively low compared to that of oxides, suggesting the presence of numerous unexplored chalcogenides with fascinating physical characteristics. In this study, we implemented a systematic high-throughput screening process combined with first-principles calculations on ternary chalcogenides using 34 crystal structure prototypes. We generated a computational material database containing over 400,000 compounds by exploiting the ion-substitution approach at different atomic sites with elements in the periodic table. The thermodynamic stabilities of the candidates were validated using the chalcogenides included in the Open Quantum Materials Database. Moreover, we trained a model based on crystal graph convolutional neural networks to predict the thermodynamic stability of novel materials. Furthermore, we theoretically evaluated the electronic structures of the stable candidates using accurate hybrid functionals. A series of in-depth characteristics, including the carrier effective masses, electronic configuration, and photovoltaic conversion efficiency, was also investigated. Our work provides useful guidance for further experimental research in the synthesis and characterization of such chalcogenides as promising candidates, as well as charting the stability and optoelectronic performance of ternary chalcogenides." @default.
• W4386617792 created "2023-09-12" @default.
• W4386617792 creator A5013750469 @default.
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• W4386617792 date "2023-09-11" @default.
• W4386617792 modified "2023-10-18" @default.
• W4386617792 title "Accelerated Screening of Ternary Chalcogenides for Potential Photovoltaic Applications" @default.
• W4386617792 cites W1540777085 @default.
• W4386617792 cites W1542630147 @default.
• W4386617792 cites W1975007254 @default.
• W4386617792 cites W1977920155 @default.
• W4386617792 cites W1979544533 @default.
• W4386617792 cites W1981368803 @default.
• W4386617792 cites W1992985800 @default.
• W4386617792 cites W1996425351 @default.
• W4386617792 cites W1996820002 @default.
• W4386617792 cites W2004602855 @default.
• W4386617792 cites W2010250169 @default.
• W4386617792 cites W2019796860 @default.
• W4386617792 cites W2029637177 @default.
• W4386617792 cites W2036127775 @default.
• W4386617792 cites W2041754264 @default.
• W4386617792 cites W2053643385 @default.
• W4386617792 cites W2059901398 @default.
• W4386617792 cites W2067038503 @default.
• W4386617792 cites W2081870935 @default.
• W4386617792 cites W2083222334 @default.
• W4386617792 cites W2086228597 @default.
• W4386617792 cites W2098796801 @default.
• W4386617792 cites W2098911987 @default.
• W4386617792 cites W2112845989 @default.
• W4386617792 cites W2146825023 @default.
• W4386617792 cites W2162653998 @default.
• W4386617792 cites W2257548062 @default.
• W4386617792 cites W2270159277 @default.
• W4386617792 cites W2278970271 @default.
• W4386617792 cites W2332264150 @default.
• W4386617792 cites W2464725281 @default.
• W4386617792 cites W2476081612 @default.
• W4386617792 cites W2528800762 @default.
• W4386617792 cites W2566359087 @default.
• W4386617792 cites W2582410691 @default.
• W4386617792 cites W2586930867 @default.
• W4386617792 cites W2594537854 @default.
• W4386617792 cites W2612527494 @default.
• W4386617792 cites W2616519837 @default.
• W4386617792 cites W2734520197 @default.
• W4386617792 cites W2763895402 @default.
• W4386617792 cites W2764247306 @default.
• W4386617792 cites W2767596908 @default.
• W4386617792 cites W2785060548 @default.
• W4386617792 cites W2786709116 @default.
• W4386617792 cites W2791738097 @default.
• W4386617792 cites W2794718661 @default.
• W4386617792 cites W2795185600 @default.
• W4386617792 cites W2884670285 @default.
• W4386617792 cites W2891026324 @default.
• W4386617792 cites W2891436415 @default.
• W4386617792 cites W2893583421 @default.
• W4386617792 cites W2901344618 @default.
• W4386617792 cites W2903483166 @default.
• W4386617792 cites W2913330891 @default.
• W4386617792 cites W2913959819 @default.
• W4386617792 cites W2922621097 @default.
• W4386617792 cites W2940396910 @default.
• W4386617792 cites W2944901956 @default.
• W4386617792 cites W2948674503 @default.
• W4386617792 cites W2963148896 @default.
• W4386617792 cites W2988742961 @default.
• W4386617792 cites W2991478302 @default.
• W4386617792 cites W3004536390 @default.
• W4386617792 cites W3008137131 @default.
• W4386617792 cites W3011550352 @default.
• W4386617792 cites W3016418991 @default.
• W4386617792 cites W3049636320 @default.
• W4386617792 cites W3092231781 @default.
• W4386617792 cites W3105924790 @default.
• W4386617792 cites W3119883934 @default.
• W4386617792 cites W3128895502 @default.
• W4386617792 cites W3136959618 @default.
• W4386617792 cites W3152811002 @default.
• W4386617792 cites W3165351888 @default.
• W4386617792 cites W3178512263 @default.
• W4386617792 cites W3188490672 @default.
• W4386617792 cites W3192633928 @default.
• W4386617792 cites W3196387683 @default.
• W4386617792 cites W4200497944 @default.
• W4386617792 cites W4206794050 @default.
• W4386617792 cites W4240670379 @default.

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