2021年7月1日 · Herein, hierarchical BiOBr hollow microspheres are fabricated by a solvothermal method using ethylene glycol (EG) as solvent in presence of polyvinyl pyrrolidone (PVP). The hollow BiOBr microspheres prepared at 120 °C exhibit the …

2020年1月16日 · According to the partial state densities (PDOS) of Bi, O and Br atoms, the VBM of BiOBr (−5.54 to 0 eV) is mainly generated by O 2p and Br 4p states, and the contributions of Bi 6s and 6p electronic states are very small.

2022年8月15日 · A novel BPQDs/OV-BiOBr S-scheme heterojunction photocatalyst with tight interfacial contacts was successfully prepared by hydrothermal deposition of appropriate amount of black phosphorus quantum dots (BPQDs) on bismuth bromoxide with …

2022年9月15日 · 在此，电子科技大学向全军等在二维BiOBr载体上使用设计的表面贴 ... 其次，在应变工程前后的吸附和解吸过程方面，PDOS、COHP（晶体轨道哈密顿群体）以及键合距离分析充分评估和覆盖了与相应中间体的键合能力（图4b-c）.特别是对于吸附过程，如 PDOS 所示 ...

2022年3月16日 · In the present work, we report the synthesis and theoretical–experimental characterization of BiOBr employing X-ray diffraction, Raman spectroscopy, conductivity measurements, and first principles calculations based on Functional Density Theory (DFT).

Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional...

2021年5月7日 · Constructing nitrogen (N 2) adsorption and activation sites on semiconductors is the key to achieving efficient N 2 photofixation. Herein, Mn–W dual-metal sites on WO 3 are designed toward efficient N 2 photoreduction via controlled Mn doping.

Overall, the results predict that the nonmetal-doped BiOBr monolayers have a reduced bandgap, slow recombination rate, more catalytic active sites, enhanced optical absorption edges, and reduced...

2022年10月4日 · Our study uses density functional theory calculations within the Heyd–Scuseria–Ernzerhof hybrid functional to analyze the geometric structure and electronic structure of the g-C 3 N 4 /BiOBr (001) heterojunction in order to gain a better understanding of its photocatalytic properties.

2024年1月2日 · We found that the crystal facet is critical to the photocatalytic performance of BiOBr/BiOCl. The BiOBr (001)/BiOCl (001) and BiOBr (010)/BiOCl (010) with the same facet combinations in BiOBr/BiOCl present the unexpected type I band alignments and the poor photocatalytic activities.