Density Functional Characterization of Pure and Alkaline Earth Metal‐Doped Bi12GeO20, Bi12SiO20, and Bi12TiO20 Photocatalysts

J Lu, Y Dai, Y Zhu, B Huang - ChemCatChem, 2011 - Wiley Online Library
Bi12MxO20±δ (hereafter BMO; M= Ti, Si, Ge) materials, which have been used as
ferroelectric materials, actuators, capacitors, and dielectric and photorefractive materials …

First-Principles Characterization of Bi-based Photocatalysts: Bi12TiO20, Bi2Ti2O7, and Bi4Ti3O12

W Wei, Y Dai, B Huang - The Journal of Physical Chemistry C, 2009 - ACS Publications
The geometric, electronic, and optical properties of three Bi-based structures (Bi12TiO20,
Bi2Ti2O7, and Bi4Ti3O12) with and without C and N doping as possible photocatalytic …

Density functional characterization of Bi-based photocatalysts: BiTaO4, Bi4Ta2O11 and Bi7Ta3O18

J Gao, W Zeng, B Tang, M Zhong, QJ Liu - Materials Science in …, 2021 - Elsevier
Using density-functional theory (DFT) calculations, we make a comparative study for the
structural, electronic, and optical properties and photocatalysis of triclinic BiTaO 4 …

Electronic structures of efficient MBiO3 (M= Li, Na, K, Ag) photocatalyst

WL Zhou, ZY Zhao - Chinese Physics B, 2016 - iopscience.iop.org
In order to deepen the understanding of the relationship between fundamental properties
(including: microstructure and composition) and photocatalytic performance, four bismuthate …

Origin of bismuth‐rich strategy in bismuth oxyhalide photocatalysts

Y Wang, J Meng, S Jing, K Wang, C Ban… - Energy & …, 2023 - Wiley Online Library
Recently, the bismuth‐rich strategy via increasing the bismuth content has been becoming
one of the most appealing approaches to improve the photocatalytic performance of bismuth …

A computational study on the photoelectric properties of various Bi2O3 polymorphs as visible-light driven photocatalysts

F Wang, K Cao, Q Zhang, X Gong, Y Zhou - Journal of molecular modeling, 2014 - Springer
This paper presents first-principle studies on the photoelectric properties of various Bi 2 O 3
polymorphs. The intrinsic reason of different photocatalytic activities was revealed by …

Novel I-doped Bi12O17Cl2 photocatalysts with enhanced photocatalytic activity for contaminants removal

M Guo, H He, J Cao, H Lin, S Chen - Materials Research Bulletin, 2019 - Elsevier
Abstract Novel I-doped Bi 12 O 17 Cl 2 photocatalysts have been synthesized using a facile
chemical precipitation method and characterized by XRD, XPS, SEM, BET and UV–vis DRS …

Recent advancement in Bi5O7I-based nanocomposites for high performance photocatalysts

QU Hassan, AI Channa, QG Zhai, G Zhu, Y Gao, N Ali… - Chemosphere, 2022 - Elsevier
Bi 5 O 7 I belongs to the family of bismuth oxyhalides (BiOX, X= Cl, Br, I), having a unique
layered structure with an internal electrostatic field that promotes the separation and transfer …

Reactant activation and photocatalysis mechanisms on Bi-metal@ Bi2GeO5 with oxygen vacancies: A combined experimental and theoretical investigation

X Li, W Zhang, W Cui, J Li, Y Sun, G Jiang… - Chemical Engineering …, 2019 - Elsevier
The photocatalysis process follows two fundamental sequences: reactant adsorption and
surface photocatalysis. In this work, Bi metal-deposited Bi 2 GeO 5 (Bi@ BiGeO) is prepared …

Optical properties and visible-light driven photocatalytic performance of Bi14MoO24 semiconductor with layered δ-Bi2O3-type structure

Z Wang, P Huang, M Zheng - Molecular Catalysis, 2017 - Elsevier
The bismuth molybdate oxide of Bi 14 MoO 24 (7Bi 2 O 3· MoO 3) was synthesized by the co-
precipitation route. The samples developed into the uniform nanoparticles around 50 nm …