Papers
Topics
Authors
Recent
Gemini 2.5 Flash
Gemini 2.5 Flash
134 tokens/sec
GPT-4o
10 tokens/sec
Gemini 2.5 Pro Pro
47 tokens/sec
o3 Pro
4 tokens/sec
GPT-4.1 Pro
38 tokens/sec
DeepSeek R1 via Azure Pro
28 tokens/sec
2000 character limit reached

Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO$_3$ (1909.09623v2)

Published 20 Sep 2019 in cond-mat.mtrl-sci

Abstract: Using the hybrid density functional theory and \textit{ab initio} atomistic thermodynamics, we report monodoping of non-metal (N) or metal (Mn) in SrTiO$3$ can induce visible light absorption, but none of them are suitable to ameliorate the photocatalytic activity. Therefore, in order to achieve enhanced photocatalytic activity of SrTiO$_3$, we have employed codoped Mn and N simultaneously in SrTiO$_3$ to modulate its electronic properties effectively. In the codoped SrTiO$_3$, the recombination of photogenerated charge carriers is suppressed, and the diffusion and mobility are increased owing to the passivation of discrete localized states. Our results reveal that Mn${\textrm{Sr}}\textrm{N}_\textrm{O}$ (codoping of Mn at Sr site and N at O site) is the most promising candidate for enhancing the photocatalytic activity of SrTiO$_3$ under visible light.

Summary

We haven't generated a summary for this paper yet.