光催化
双锰矿
材料科学
兴奋剂
化学工程
环境化学
冶金
催化作用
光电子学
锰
化学
生物化学
工程类
氧化锰
作者
F. Liu,Tong Liu,Haiyang Ding,Changqiu Wang,Yan Li,Song Jin,Anhuai Lu
标识
DOI:10.1016/j.matlet.2024.136135
摘要
Birnessite is an affordable and high-efficiency catalyst for water oxidation. In this study, we attempted to doping Ca into birnessite to investigate the influence on its photocatalytic oxidation activity. The study was carried out through a combination of experimental investigations and DFT calculations of the relevant crystal and electronic structures. The analysis of Raman spectra using 2T2D correlation and DFT indicates that Ca contributes more to the high frequency regions (400–600 cm−1) than K. DFT further reveals that the introduction of Ca leads to an increase in the number of localized electrons at the Fermi energy level and in the conduction band. Photo-electrochemical experiments demonstrate a significant reduction of 100 mV/dec in the Tafel slope, along with a 1.48-fold increase in photo-current density for Ca-birnessite when compared to K-birnessite. In general, the results demonstrate that Ca-birnessite can effectively heighten visible light absorption, reduce the band gap, and enhance water oxidation activity.
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