2021
DOI: 10.1016/j.mtener.2021.100665
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The thermoelectric performance of new structure SnSe studied by quotient graph and deep learning potential

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Cited by 16 publications
(11 citation statements)
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“…These DP-based simulations provided a starting point for large size scale and long time scale MD investigations of solid-state electrolyte materials. Additional DPs were developed for a wide-range of other multi-element bulk systems, including metal oxide [163][164][165], metal sulfide [166,167], thermoelectric SnSe materials [168], metal borides [169,171], and metal carbide [170] systems.…”
Section: Multi-element Bulk Systemsmentioning
confidence: 99%
“…These DP-based simulations provided a starting point for large size scale and long time scale MD investigations of solid-state electrolyte materials. Additional DPs were developed for a wide-range of other multi-element bulk systems, including metal oxide [163][164][165], metal sulfide [166,167], thermoelectric SnSe materials [168], metal borides [169,171], and metal carbide [170] systems.…”
Section: Multi-element Bulk Systemsmentioning
confidence: 99%
“…To generate enough structure configurations of a hydrogenated biphenylene sheet, its 2 × 2 supercell (containing 24 carbon atoms) is considered as the start point. Hydrogen atoms are randomly bonded to carbon atoms in the supercell through our previously developed RG 2 code, which is designed for generating crystal structures with a well-defined structural feature. For each carbon atom in the supercell, there are two different hydrogenating manners, namely, up (U) and down (D). The configuration space can be easily evaluated as 2 24 = 16 777 216, but most of them are distorted with high energy and some of them are equivalent due to symmetry.…”
mentioning
confidence: 99%
“…Similar phenomena have also been reported in previous studies on the Ga 0.25 Al 0.75 N alloy and SnSe. 39,40…”
Section: Resultsmentioning
confidence: 99%