The effect of DMPO on the formation of hydroxyl radicals on the rutile TiO2(110) surface

Lei，Yanhua1; Huang，Xiang2; Zhao，Changming2; Jin，Yuanjun2; Xu，Hu2

2020-06-21

10.1039/d0cp01859g

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   影响因子和分区

1463-9076

1463-9084

Unraveling the formation mechanism of hydroxyl radicals (OH˙) is one of the outstanding issues in photocatalytic reactions, where 5,5-dimethyl-1-pyrroline N-oxide (DMPO) is widely utilized as a trapping agent to detect OH˙ radicals in experiments. In this study, we carry out density functional theory calculations to reveal the origin and formation process of OH˙ radicals by investigating the interaction of water with DMPO on a rutile TiO2(110) surface. Our results clearly show that the OH˙ radicals trapped by DMPO stem from water upon illumination. The charge compensation mechanism dominates the formation of DMPO-OH from the reaction between DMPO and water on the rutile TiO2(110) surface. These findings provide new insights into the photocatalytic mechanism and may achieve new frontiers in photocatalytic research.

SCI ; EI

英语

第一

Guangdong Natural Science Funds for Distinguished Young Scholars[2017B030306008] ; National Natural Science Foundation of China[11974160][11674148][11334003]

Chemistry ; Physics

Chemistry, Physical ; Physics, Atomic, Molecular & Chemical

WOS:000543038500026

ROYAL SOC CHEMISTRY

20203509113349

Oxide minerals ; Free radicals ; Density functional theory

Minerals:482.2 ; Inorganic Compounds:804.2 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

CHEMISTRY

2-s2.0-85086746984

Scopus

1.Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
2.

Lei，Yanhua,Huang，Xiang,Zhao，Changming,et al. The effect of DMPO on the formation of hydroxyl radicals on the rutile TiO2(110) surface[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2020,22(23):13129-13135.

Lei，Yanhua,Huang，Xiang,Zhao，Changming,Jin，Yuanjun,&Xu，Hu.(2020).The effect of DMPO on the formation of hydroxyl radicals on the rutile TiO2(110) surface.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,22(23),13129-13135.

Lei，Yanhua,et al."The effect of DMPO on the formation of hydroxyl radicals on the rutile TiO2(110) surface".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22.23(2020):13129-13135.