TY - JOUR
T1 - Unveiling the origin of high-efficiency charge transport effect of C3N5/C3N4 homojunction for activating peroxymonosulfate to degrade atrazine under visible light
AU - Deng, Yaocheng
AU - Li, Ling
AU - Zeng, Hao
AU - Tang, Rongdi
AU - Zhou, Zhanpeng
AU - Sun, Yuchen
AU - Feng, Chengyang
AU - Gong, Daoxin
AU - Wang, Jiajia
AU - Huang, Ying
N1 - Funding Information:
The study was financially supported by the National Natural Science Foundation of China (Grant No. 52270156 , 51909089 ), Natural Science Foundation of Hunan Province, China (Grant No. 2020JJ5252, 2021JJ40091), China Postdoctoral Science Foundation (Grant No. 2019M662781).
Publisher Copyright:
© 2022 Elsevier B.V.
PY - 2023/2/1
Y1 - 2023/2/1
N2 - Photocatalytic activation of PMS is a potential advanced oxidation process in refractory wastewater purification. Herein, a C3N5/C3N4 homojunction (AT-CN) catalyst as an efficient photocatalyst for PMS activation is reported, which owns interlaced band structure, high-efficiency charge transfer, and PMS activation capability. This homojunction structure is demonstrated to be highly efficient in charge transfer and separation. As experimental result, the reaction rate constants of atrazine in AT-CN/PMS/Vis system increased to 2.9-fold and 7.4-fold, compared with C3N4/PMS/Vis and C3N5/PMS/Vis system. The photocatalytic activation of PMS for atrazine removal efficiency reached 97 % within 60 min (under pH = 3). The band structure, the charge density difference, the PMS adsorption behavior of AT-CN, and the activation pathways of PMS have been studied through the DFT calculation. According to experimental and DFT simulation, the AT-CN homojunction not only suppress the charge recombination via built-in electric field, but also exhibited a better PMS activation capability. In brief, this study through the combination of experiment and simulation is providing more inspiration for designing appropriate nonmetal homojunction in the photo-activated PMS process.
AB - Photocatalytic activation of PMS is a potential advanced oxidation process in refractory wastewater purification. Herein, a C3N5/C3N4 homojunction (AT-CN) catalyst as an efficient photocatalyst for PMS activation is reported, which owns interlaced band structure, high-efficiency charge transfer, and PMS activation capability. This homojunction structure is demonstrated to be highly efficient in charge transfer and separation. As experimental result, the reaction rate constants of atrazine in AT-CN/PMS/Vis system increased to 2.9-fold and 7.4-fold, compared with C3N4/PMS/Vis and C3N5/PMS/Vis system. The photocatalytic activation of PMS for atrazine removal efficiency reached 97 % within 60 min (under pH = 3). The band structure, the charge density difference, the PMS adsorption behavior of AT-CN, and the activation pathways of PMS have been studied through the DFT calculation. According to experimental and DFT simulation, the AT-CN homojunction not only suppress the charge recombination via built-in electric field, but also exhibited a better PMS activation capability. In brief, this study through the combination of experiment and simulation is providing more inspiration for designing appropriate nonmetal homojunction in the photo-activated PMS process.
KW - Atrazine
KW - Carbon nitride homojunction
KW - DFT calculation
KW - Peroxymonosulfate activation
KW - Photocatalysis
UR - http://www.scopus.com/inward/record.url?scp=85145729661&partnerID=8YFLogxK
U2 - 10.1016/j.cej.2022.141261
DO - 10.1016/j.cej.2022.141261
M3 - Article
AN - SCOPUS:85145729661
SN - 1385-8947
VL - 457
JO - Chemical Engineering Journal
JF - Chemical Engineering Journal
M1 - 141261
ER -