Introducing oxygen vacancies in TiO_(2) lattice through trivalent iron to enhance the photocatalytic removal of indoor NO  

作　　者：Peng Sun Sumei Han Jinhua Liu Jingjing Zhang Shuo Yang Faguo Wang Wenxiu Liu Shu Yin Zhanwu Ning Wenbin Cao 

机构地区：[1]Institute of Urban Safety and Environmental Science,Beijing Academy of Science and Technology,Beijing 100054,China [2]School of Materials Science and Engineering,University of Science and Technology Beijing,Beijing 100083,China [3]Beijing Wetech Environmental Sci-Tech Co.,Ltd.,Beijing 100083,China [4]Institute of Multidisciplinary Research for Advanced Materials(IMRAM),Tohoku University,Katahira 2-1-1,Aoba-ku,Sendai 980-8577,Japan [5]Advanced Institute for Materials Research(WPI-AIMR),Tohoku University,Katahira 2-1-1,Aoba-ku,Sendai 980-8577,Japan [6]Tianjin College,University of Science and Technology Beijing,Tianjin 301830,China

出　　处：《International Journal of Minerals,Metallurgy and Materials》2023年第10期2025-2035,共11页矿物冶金与材料学报（英文版）

基　　金：supported by the BJAST High-level Innovation Team Program (No.BGS202001);the Beijing Postdoctoral Research Foundation (No.2022-ZZ-046);the National Natural and Science Foundation of China (No.51972026);the Japan Society for the Promotion of Science (JSPS)Grant-in-Aid for the Scientific Research (KAKENHI,Nos.16H06439 and 20H00297);the Dynamic Alliance for Open Innovations Bridging Human,Environment and Materials,the Cooperative Research Program of“Network Joint Research Center for Materials and Devices.”;the scholarship granted to a visiting Ph.D.student of the Inter-University Exchange Project by the China Scholarship Council (CSC,No.201906460113)。

摘　　要：The synthesis of oxygen vacancies(OVs)-modified TiO_(2)under mild conditions is attractive.In this work,OVs were easily introduced in TiO_(2)lattice during the hydrothermal doping process of trivalent iron ions.Theoretical calculations based on a novel charge-compensation structure model were employed with experimental methods to reveal the intrinsic photocatalytic mechanism of Fe-doped TiO_(2)(Fe-TiO_(2)).The OVs formation energy in Fe-TiO_(2)(1.12 eV)was only 23.6%of that in TiO_(2)(4.74 eV),explaining why Fe^(3+)doping could introduce OVs in the TiO_(2)lattice.The calculation results also indicated that impurity states introduced by Fe^(3+)and OVs enhanced the light absorption activity of TiO_(2).Additionally,charge carrier transport was investigated through the carrier lifetime and relative mass.The carrier lifetime of Fe-TiO_(2)(4.00,4.10,and 3.34 ns for 1at%,2at%,and 3at%doping contents,respectively)was longer than that of undoped TiO_(2)(3.22 ns),indicating that Fe^(3+) and OVs could promote charge carrier separation,which can be attributed to the larger relative effective mass of electrons and holes.Herein,Fe-TiO_(2)has higher photocatalytic indoor NO removal activity compared with other photocatalysts because it has strong light absorption activity and high carrier separation efficiency.

关 键 词：oxygen vacancies density functional theory calculations iron-doped titanium dioxide carrier separation photocatalytic removal of indoor nitric oxide 

分 类 号：O643.36[理学—物理化学] O644.1[理学—化学] X51[环境科学与工程—环境工程]