Inducing a deep impurity level in Li2SnO3 by ionic Bi–O bonding to enhance light absorption in photocatalysis. (1st April 2022)

• Record Type: Journal Article
• Authors: Zhang, Tao; Pu, Hongzheng; Zeng, Hanlu; Zhou, Ying; Gong, Xiangnan; Ye, Qian; Yang, Chuanyao; Yang, Dingfeng; Li, Yuanyuan
• Is Part Of: International journal of hydrogen energy. Volume 47:Number 28(2022)
• Page Start: 13683
• Page End: 13692
• Publication Date: 2022-04-01
• Subjects: Deep impurity level -- Light absorption -- Photocatalysis -- Bi–O ionic bond; Hydrogen as fuel -- Periodicals; Hydrogène (Combustible) -- Périodiques; Hydrogen as fuel; Periodicals; 665.81
• DOI: 10.1016/j.ijhydene.2022.02.116
• Languages: English
• ISSNs: 0360-3199

Abstract

Abstract: Orbital engineering is an important strategy for modulating light absorption in photocatalysis. Here, Bi doping of the oxide photocatalyst Li2 SnO3 to enhance light absorption was rationally designed by orbital engineering. Based on density functional theory, owing to the lower Bi 6s energy level compared with that of Sn 5s, a deep impurity energy level induced by ionic Bi–O bonds is generated in the middle band gap of Li2 SnO3 . The impurity energy level can facilitate the utilization efficiency of light absorption, leading to remarkably enhanced photocatalytic performance. For Li2 Sn0.9 Bi0.1 O3, the photodegradation rate of tetracycline solution reached 76% within 30 min, which was approximately 2.6 times higher than that for Li2 SnO3 . A radical trapping experiment revealed that the holes (h + ) play a dominant role in the elimination reaction. Finally, liquid chromatography–mass spectrometry was performed to monitor the photocatalytic process. This study lays a foundation for rational design of photocatalysts with excellent light absorption for photocatalysis. Highlights: Orbital engineering is utilized to enhance the photocatalytic performance in Li2 SnO3 . The introduced ionic Bi–O bond can induce a deep impurity energy level in the middle band gap of Li2 SnO3 . The photodegradation efficiency of Li2 Sn1−x Bix O3 is remarkably enhanced as compared with that of Li2 SnO3 .