title: An innovative anion regulation strategy for energy bands of semiconductors: a case from Bi2O3 to Bi2O(OH)2SO4.
abstract: How to develop a new, efficient photo catalyst is still a big challenge to us. A suitable band gap is the key for light absorption of semiconductor. Herein, an innovative anion intercalation strategy is, for the first time, developed to regulate the energy band of semiconductor. Typically, we introduce a layered sulfate compound (Bi2O(OH)2SO4) as a new photo catalyst, which has not been known before. Both partial density of states (PDOS) and total density of states (TDOS) have demonstrated that compared with Bi2O3 (2.85 eV), the band gap of Bi2O(OH)2SO4 has been widened to 4.18 eV by the intercalation of sulfate anion. Moreover, the band gap width of oxyacid salt compound is mainly predominated by the number of the outmost electrons (NOE) of central atom of anion. This study suggests that new photo catalysts can be developed by grouping anions with the existing oxides or sulfides.
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Hao
authors.initials: H
authors.lastname: Tian
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [3] Jiangsu Joint Laboratory of Atmospheric Pollution Control (APC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [4] Collaborative Innovation Center of Atmospheric Environment and Equipment Technology (AEET), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Fei
authors.initials: F
authors.lastname: Teng
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Juan
authors.initials: J
authors.lastname: Xu
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Sunqi
authors.initials: S
authors.lastname: Lou
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Na
authors.initials: N
authors.lastname: Li
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Yunxuan
authors.initials: Y
authors.lastname: Zhao
authors.affiliation: 1] Jiangsu Engineering and Technology Research Center of Environmental Cleaning Materials (ECM), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [2] Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control (AEMPC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [3] Jiangsu Joint Laboratory of Atmospheric Pollution Control (APC), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China [4] Collaborative Innovation Center of Atmospheric Environment and Equipment Technology (AEET), School of Environmental Science and Engineering, Nanjing University of Information Science &Technology, 219 Ningliu Road, Nanjing 210044, China.
authors.forename: Mindong
authors.initials: M
authors.lastname: Chen