2D CdO‐Based Heterostructure as a Promising Visible Light Water‐Splitting Photocatalyst

Abstract

A 2D CdO/g-C 3 N 4 heterostructure (CdCHT) is designed as a potential photocatalyst. Using first-principle calculations, it is found that CdCHT is a type-II heterostructure, which promotes the separation of photoinduced carriers and thereby facilitates water reduction and oxidation at different layers. Visible lightabsorption ability is obviously improved compared with the constituent single layers. Especially, the band edge alignments of CdCHTs with biaxial strains satisfy water redox energy levels within the pH range between 4.3 and 12.3, which ensures the occurrence of the water redox reaction. Furthermore, the calculation of free energy proves the high hydrogen production activity of CdCHT. These factors render CdCHT to be suitable for water-splitting photocatalysis.

Two-dimensional ferroelectric MoS2/Ga2O3 heterogeneous bilayers with highly tunable photocatalytic and electrical properties

“…As clearly shown, the effective CBM of MoS 2 /Ga 2 O 3 ↓ is higher than the reduction level of hydrogen ion (−4.44 eV, under pH = 0) and the effective VBM is lower than the oxidation level of oxygen (−5.67 eV, under pH = 0), satisfying the required conditions of water splitting. The relationship between water reduction-oxidation (Redox) potential and pH value can be further determined by: 64,65 E H + /H 2 = −4.44 eV + pH × 0.059 eV,and E O 2 /H 2 O = −5.67 eV + pH × 0.059 eV.…”

2D materials and heterostructures for photocatalytic water-splitting: a theoretical perspective

“…Since the discovery of graphene [23], two-dimensional (2D) layered materials have drawn huge research interest in material science and condensed matter physics because of their distinctive mechanical [24], electronic [25][26][27][28], thermal [29,30], magnetic [31,31] and optical properties [32][33][34][35]. Interestingly, the physical and chemical properties of 2D materials could be effectively modulated through defects [36,37], dopants [38,39], adsorption [40,41], strain [42,43] and external electric field [44,45], which greatly expands the practical application potential of 2D materials. 2D materials have also attracted tremendous interest in the area of PCWS because of their inherent advantages of high specific surface area, sufficient adsorption and catalytic sites, high carrier mobility, short carrier migration distance, and excellent mechanical properties [46][47][48][49].…”

SYNTHESIS OF DIFFERENT METAL DOPED ZnAl-LDH/PVA NANOCOMPOSITES FOR ADSORPTION AND PHOTOCATALYTIC APPLICATIONS

“…They are classified based on different criteria like sheets layered nanostructures, films, nano-patterned surfaces, and coatings [1]. Graphene [2,3], graphene oxide (GO) [4], Mxenes [5], silicate clays [6], hydroxides, and layered double hydroxides (LDHs) [7], [8], some of transition metal chalcogenides [9][10][11], some of transition metal oxides (TMOs) or mixed metal oxide (MMO) [12,13], black phosphorus nanosheets (BPN), Boron and boron nitride nanosheet, antimonene (AM) and antimonene oxide nanosheet [14] are sheet-like layered nanostructures possess excellent physical, mechanical, chemical and biochemical properties due to structures, high surface area and surface charge. In order to obtain new physicochemical properties in nanomaterials, new 2D nanomaterials are currently being synthesized in science, or modification of known nanostructures is being carried out.…”