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Visible-Light Harvesting SrTiO 3 Solid Solutions for Photocatalytic Hydrogen Evolution from Water.

Xueshang XinHai ZouShiwen DuYunfeng BaoFuxiang Zhang
Published in: ChemSusChem (2024)
The fabrication of solid solutions represents a compelling approach to modulating the physicochemical properties of materials. In this study, we achieved the successful synthesis of solid solutions comprising SrTiO 3 and SrTaO 2 N (denoted as (SrTiO 3 ) 1-x -(SrTaO 2 N) x , 0≤x≤1) using the magnesium powder-assisted nitridation method. The absorption edge of (SrTiO 3 ) 1-x -(SrTaO 2 N) x is tunable from 500 to 600 nm. The conduction band minimum (CBM) of (SrTiO 3 ) 1-x -(SrTaO 2 N) x comprises the Ti 3d orbitals and the Ta 5d orbitals, while the valence band maximum (VBM) consists of the O 2p and N 2p orbitals. The microstructure of the (SrTiO 3 ) 1-x -(SrTaO 2 N) x consists of small nanoparticles, exhibiting a larger specific surface area than the parent compounds of SrTiO 3 and SrTaO 2 N. In the photocatalytic hydrogen evolution reaction (HER) with sacrificial reagents, the activity of solid solutions is notably superior to that of nitrogen-doped SrTiO 3 and SrTaO 2 N. This superiority is mainly attributed to its broad light absorption range and high charge separation efficiency, which indicates its potential as a promising photocatalytic material. Moreover, the magnesium powder-assisted nitridation method exhibits obvious advantages for the synthesis of oxynitrides and bears instructional significance for the synthesis of other nitrogen-containing compounds and even sulfur-containing compounds.
Keyphrases
  • visible light
  • density functional theory
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  • molecular dynamics
  • quantum dots
  • low cost