Doping atom improves photocatalytic performance in a new metal-free organic photocatalyst for water splitting

Abstract

Photocatalytic water splitting for hydrogen is an ideal technology in produce new energy by solar energy. In the process of photocatalysis, how to improve the catalytic performance of catalysts is...

Tailored modifications of the electronic properties of g-C3N4/C2N-h2D nanoribbons by first-principles calculations

“…As such, we studied the adsorption of Mn, Fe, Co, and Ni, and the post-adsorbed structures are referred as A-g-C 3 N 4 /C 2 N- h 2D (A = Mn, Fe, Co, Ni) nanoribbons. 47 First, we take the adsorption of Mn as an example to prove the position where the adsorption is most stable. There are two transition metal adsorption sites, as shown in Fig.…”

The metal atomic substitution induced half-metallic properties, metallic properties and semiconducting properties in X–N4 nanoribbons

“…Subsequently, we studied the electronic properties of X-ZN 4 NRs and analyzed their electronic properties by calculating their energy bands and DOS. 36,37 When different transition metal atoms were placed on X-ZN 4 NRs, some exciting changes occurred in their electronic properties. 38 We found that the X-ZN 4 NRs of various types have entirely different electronic properties, as shown in Fig.…”

Two dimensional twin T-graphene: monolayer for visible-light photocatalytic water splitting and bulk for anode material of magnesium batteries

“…For an excellent photocatalyst, the ability of harvesting sunlight, particularly visible and ultraviolet light, to give rise to electronhole pairs is crucial to water splitting. [37][38][39][40] To determine the optical absorption coefficient of the TTG, we have calculated its optical absorption spectrums that are polarized in X-direction and Z-direction of TTG, as shown in Fig. 3(d).…”