Two-dimensional semiconducting Ag2X (X = S, Se) with Janus-induced built-in electric fields and moderate band edges for overall water splitting

Effects of strain and thickness on the mechanical, electronic, and optical properties of Cu2Te

“…These materials have been synthesized in various stoichiometric ratios, including MX 2 (M: transition metal atoms; X: S, Se, and Te), [10][11][12][13][14] MX, [15][16][17][18][19] and M 2 X. 20,21 Among these, 2D transition-metal-rich TMCs (M 2 X) exhibit a diverse range of properties, such as tunable electronic band structures, 20 reversible thermal structural phase transitions, [21][22][23][24] excellent photocatalytic performance, 25,26 two-dimensional magnetic characteristics, 21,27 topological properties, 28 and a negative Poisson's ratio (auxetic materials). [29][30][31] These unique properties endow them with potential for the development of next-generation electronic and optoelectronic devices.…”

First-Principles Calculations on Two-Dimensional Au6X2 (X = S, Se, or Te) Nanostructures for Device and Photocatalytic Applications

“…Two-dimensional (2D) transition-metal chalcogenides which have garnered significant attention due to their versatile material species, unique physical properties, and their potential applications in optoelectronics, catalysts, and energy. − Besides 2D transition-metal dichalcogenides (TMDs) in which the bulk is layered, 2D group 11 chalcogenides in which the bulk is nonlayered have been extensively studied in recent years. − With dimensionality reduction, the atomic configurations and physical properties of 2D group 11 chalcogenides are diverse. − A six-atom-thick hexagonal Cu 2 Se monolayer is a semiconductor that exhibits a purely thermal structural phase transition. , A one-atom-thick honeycomb AgTe monolayer possesses 2D Dirac nodal line Fermions and the orbital-driven Rashba effect. , A three-atom-thick square Ag 2 S monolayer is an auxetic material with a negative Poisson ratio and excellent charge transport properties . A four-atom-thick hexagonal T-Au 6 S 2 monolayer, the atomic configuration of which is similar to the widely studied TMD monolayer with octahedral Au 6 cluster-substituted transition-metal atoms, possesses a high carrier mobility of 2721 cm 2 V –1 s –1 and efficient sunlight absorption. , Therefore, Au 6 X 2 (X = S, Se, or Te) monolayers merit further exploration.…”

Two-dimensional Janus monolayers Al2XYZ (X/Y/Z = S, Se, Te, X ≠ Y ≠ Z): first-principles insight into the photocatalytic and highly adjustable piezoelectric properties

“…21 It is reported that the Janus material In 2 X 2 X′ (X and X′ = S, Se, or Te) monolayer is an excellent photocatalytic material with high photocatalytic efficiency. 22 In addition, many 2D Janus materials, such as Janus Pd 4 S 3 Se 3 , Pd 4 S 3 Te 3 , and Pd 4 Se 3 Te 3 , 23 PtSSe, 17 PdSSe, 24 AlBiX 3 (X = S, Se, Te) 25 and Ag 2 X (X = S, Se) 26 have also been theoretically predicted. The results demonstrated that these 2D Janus materials could be candidates for photocatalytic water decomposition catalysts.…”