期刊
APPLIED CATALYSIS B-ENVIRONMENTAL
卷 310, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.apcatb.2022.121329
关键词
Photocatalytic oxygen activation; B-N bond; Oxygen adsorption; Electron transfer; Reactive oxygen species
资金
- National Natural Science Foundation of China [22006029]
- Shandong joint key project [U1906222]
- Ministry of Science and Technology, People's Republic of China [2019YFC1804104]
- Ministry of Education, People's Republic of China [T2017002]
- Tianjin Bureau of Science and Technology [S19ZC60133]
- Open Research Fund of CNMGE Platform NSCC-TJ [CNMGE202101010]
- Natural Science Foundation of Hebei Province [B2019202078]
By designing B-x-C3N4 material, the efficiency of photocatalytic activity is greatly improved due to the enhanced O-2 adsorption energy and electron transfer efficiency. This leads to a significant enhancement in photocatalytic degradation.
The efficiency of photocatalytic molecular oxygen (O-2) activation is limited by the poor O-2 adsorption and the obstruction of electron transfer. Herein, we designed a graphite carbon nitride with surface B-N bond (B-x-C3N4) to improve its efficiency. A series of characterizations and DFT calculations show that boron atom replaces carbon atom to form B-N bond, which increase the O-2 adsorption energy from -0.47 eV to -1.17 eV. Moreover, the doped boron atom can be used as the electron capture center to transfer electrons to the N atom, then to the surface adsorbed O-2 through the N-O bond, thus improving the photocatalytic generation of center dot O-2(-) and O-1(2). Finally, the photocatalytic degradation rates of RhB, tetracycline and o-nitrophenol by B-0.05-C3N4 are 12.3, 4.8 and 18.5 times that of pure g-C3N4, respectively. Moreover, the degradation pathway and toxicity prediction of intermediates of RhB are proposed based on the results of HPLC-MS and DFT calculations.
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