Computational design of a switchable heterostructure electrocatalyst based on a two-dimensional ferroelectric In₂Se₃ material for the hydrogen evolution reaction

Abstract

The theoretical design of an ON–OFF switchable HER catalyst based on the two-dimensional ferroelectric material In2Se3 and transition metal cobalt.

Comprehensive understanding of intrinsic mobility and sub-10 nm quantum transportation in Ga2SSe monolayer

“…[9][10][11] Recently, due to the large band gap, good carrier mobility, high stability, and ease of manufacturing, 12 group III-VI monolayers with the chemical formula of MX (M = In, Ga; X = Se, S, Te) have attracted great interest in nanodevices, 13,14 spintronics, 15,16 thermoelectricity, 17,18 optoelectronics, 19,20 photodetectors, 21,22 as well as catalysts. 23,24 Recently, the GaSe monolayer has been experimentally fabricated from the exfoliation of its bulk phase, 25,26 which exhibits excellent infrared-to-ultraviolet tunable optical activity and tunable electronic character. 27,28 Besides, the GaS monolayer, presenting the same structure as the GaSe monolayer, has been proposed to form GaS/GaSe van der Waals heterostructures for electronic applications with good carrier mobilities.…”

Rational design of 2D ferroelectric heterogeneous catalysts for controllable hydrogen evolution reaction

“…43,44 For example, Kim reports that In 2 Se 3 on the Co slab can achieve the ON-OFF switchable HER due to the electron transfer from the Co slab and shi the p orbitals of the Se atom. 45 Moreover, by using the polarization from the substrate, Pt/In 2 Se 3 has extremely high activity for CO oxidation. 46 In recent work, FE polarization of a In 2 Se 3 monolayer has been proved to reduce the limiting potential of the electrochemical CO 2 RR on TMs.…”

Two-Dimensional Ferroelectric Ga2O3 Bilayers with Unusual Strain-Engineered Interlayer Interactions

“…However, ferroelectrics can be achieved in some 2D monolayers. − Such 2D monolayers consist of charged planes of cations and anions, which can generate a spontaneous electric field like a capacitor. By switching the polarization, distinct “ON” and “OFF” states can be controlled precisely, which are highly desirable in applications such as surface catalysis, gas sensing, and novel electronics. , …”

“…26−28 Such 2D monolayers consist of charged planes of cations and anions, which can generate a spontaneous electric field like a capacitor. By switching the polarization, distinct "ON" and "OFF" states can be controlled precisely, which are highly desirable in applications such as surface catalysis, 29 gas sensing, 30 and novel electronics. 31,32 Our previous studies 33− 35 revealed a metastable configuration of the 2D vdW Ga 2 O 3 monolayer with an intrinsic dipole pointing from top to bottom surfaces (i.e., from negatively to positively charged centers).…”