A DFT study of GaSe/AlN(ZnO) two-dimensional vdW heterostructure practiced as an encouraging photocatalyst for water splitting

g-ZnO/Si9C15: a S-scheme heterojunction with high carrier mobility for photo-electro catalysis of water splitting

“…As shown in Fig. 4(b), under vacuum conditions, the standard reduction potential for different pH values can be calculated from the formula: 54 E Oxidation = −5.67 + pH × 0.059, and E Reduction = −4.44 + pH × 0.059. At the normal hydrogen electrode (NHE), the E Oxidation is 1.23 eV, and the E Reduction is 0 eV, as shown in Fig.…”

Two-dimensional AlN/g-CNs van der Waals type-II heterojunction for water splitting

“…We use these data to compare with the results obtained in experiments by previous researchers and the data obtained by theoretical calculation studies, to show that our calculations are valid. 55,65–67…”

“…We use these data to compare with the results obtained in experiments by previous researchers and the data obtained by theoretical calculation studies, to show that our calculations are valid. 55,[65][66][67] After comparing fundamental data for various materials, we set out to investigate the electronic properties of each monolayer material. In Fig.…”

Type-II 2D AgBr/SiH van der Waals heterostructures with tunable band edge positions and enhanced optical absorption coefficients for photocatalytic water splitting

“…This formula calculates the energy E b that is released when the materials are combined. 77–79 A higher absolute value of binding energy indicates a greater level of stability:…”