Two-dimensional metal-free boron chalcogenides B₂X₃ (X = Se and Te) as photocatalysts for water splitting under visible light

Abstract

Finding photocatalysts that fully utilize the visible solar light to split water into hydrogen and oxygen has been a challenging problem for a long time.

Prediction of 2D IV–VI semiconductors: auxetic materials with direct bandgap and strong optical absorption

“…23,24 Since the synthesis of new 2D materials is timeconsuming and costly, the theoretical calculation is of great utility. Some new 2D materials such as 2D magnetic MSi 2 C x N 4−x (M = Cr, Mo, and W; x = 1 and 2), 25 anisotropic MBs (M = Cr, Mn or Fe; B = boron), 26 CrX 3 (X = I, Br, and Cl), 27 tetragonal and hexagonal boron nitride, 28 graphene-like Si 1−x Ge x , 29 α′-boron sheet, 30 and B 2 X 3 (X = Se and Te) photocatalysts 31 are theoretically predicted by different theoretical schemes, which present a set of unique functional properties. [32][33][34] Recently, auxetic materials characterized by negative Poisson's ratios (NPRs) have attracted tremendous research attention from both fundamental science and practical application points of view.…”

Electronic Structure Regulation and Surface Reconstruction of Iron Diselenide for Enhanced Oxygen Evolution Activity

“…Transition metal compounds such as phosphides, nitrides, and selenides have attracted significant interest in OER electrocatalysts. [6] Especially, transition metal selenides displayed intriguing OER electrocatalytic activity due to their rich redox valence and tunable electronic structure. [7] Furthermore, their electronic structure as well as the reaction kinetics can be readily tuned by elemental doping and vacancy engineering to optimize the adsorption/desorption process of intermediates and improve the electrical conductivity of catalysts.…”

DFT Coupled with NEGF Study of N-Type MOSFET Based on 2D Planar B2S3 Semiconductor

“…Recently, a novel 2D material, B 2 S 3 attracted significant attention because it possesses a plane Kagome lattice, stable structure, tunable band gap, and high carrier mobility. , Bulk B 2 S 3 exhibits a layered structure, and the layers are connected by van der Waals interactions. , Thus, monolayer B 2 S 3 in the experiment is expected to be obtained from exfoliation. , However, the quantum transport of 2D B 2 S 3 device studies is still blank. Therefore, it is necessary to investigate the performance of ballistic transport in ultrascaled 2D B 2 S 3 transistors.…”

“…16,17 Bulk B 2 S 3 exhibits a layered structure, and the layers are connected by van der Waals interactions. 18,19 Thus, monolayer B 2 S 3 in the experiment is expected to be obtained from exfoliation. 20,21 However, the quantum transport of 2D B 2 S 3 device studies is still blank.…”