First-principles investigation of impurity concentration influence on bonding behavior, electronic structure and visible light absorption for Mn-doped BiOCl photocatalyst

2012 ◽  
Vol 407 (21) ◽  
pp. 4416-4424 ◽  
Author(s):  
Xiaochao Zhang ◽  
Lijun Zhao ◽  
Caimei Fan ◽  
Zhenhai Liang ◽  
Peide Han
Keyword(s):  
Electronic Structure ◽  
Visible Light ◽  
Light Absorption ◽  
First Principles ◽  
Impurity Concentration ◽  
Visible Light Absorption ◽  
Mn Doped

scholarly journals Effect of metal doping on the visible light absorption, electronic structure and mechanical properties of non-toxic metal halide CsGeCl3

RSC Advances ◽  
2018 ◽  
Vol 8 (58) ◽  
pp. 33010-33018 ◽  
Author(s):  
Md. Zahidur Rahaman ◽  
A. K. M. Akther Hossain
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Dft Calculations ◽  
Visible Light ◽  
Light Absorption ◽  
Toxic Metal ◽  
Metal Halide ◽  
Metal Doping ◽  
Visible Light Absorption ◽  
Mn Doped

We have studied the optical, electronic and mechanical properties of Ni and Mn-doped CsGeCl3 using DFT calculations.

Origin of significant visible-light absorption properties of Mn-doped TiO2 thin films

2012 ◽  
Vol 60 (5) ◽  
pp. 1974-1985 ◽  
Author(s):  
X.H. Xia ◽  
L. Lu ◽  
A.S. Walton ◽  
M. Ward ◽  
X.P. Han ◽  
...  
Keyword(s):  
Thin Films ◽  
Visible Light ◽  
Light Absorption ◽  
Tio2 Thin Films ◽  
Absorption Properties ◽  
Visible Light Absorption ◽  
Doped Tio2 ◽  
Mn Doped

Designed Ag-decorated Mn:ZnO nanocomposite: facile synthesis, and enhanced visible light absorption and photogenerated carrier separation

2020 ◽  
Vol 22 (46) ◽  
pp. 27272-27279
Author(s):  
Jing Li ◽  
Huan Yuan ◽  
Qiuping Zhang ◽  
Kaiyi Luo ◽  
Yutong Liu ◽  
...  
Keyword(s):  
Visible Light ◽  
Light Absorption ◽  
Polymer Network ◽  
Photogenerated Carrier ◽  
Facile Synthesis ◽  
Visible Light Absorption ◽  
Complex Architectures ◽  
Doped Zno ◽  
Carrier Separation ◽  
Mn Doped

A series of ZnO-based complex architectures including Mn-doped ZnO, Ag/ZnO and Ag-decorated Mn:ZnO nanocomposites were fabricated by a facile polymer network gel method.

A computational study on the tunability of woven covalent organic frameworks for photocatalysis

2019 ◽  
Vol 21 (2) ◽  
pp. 546-553 ◽  
Author(s):  
Ke Chen ◽  
Li Yang ◽  
Ziye Wu ◽  
Changlun Chen ◽  
Jun Jiang ◽  
...  
Keyword(s):  
Visible Light ◽  
Metal Ions ◽  
Dihedral Angle ◽  
Light Absorption ◽  
First Principles ◽  
Computational Study ◽  
Central Metal ◽  
First Principles Calculations ◽  
Visible Light Absorption ◽  
Positively Charged

We show that the visible light absorption of COF-505 is tunable via altering central metal ions or the dihedral angle between two adjacent ligand groups by first-principles calculations. We also found that positively charged COF-505 with Pd(ii) exhibits appreciable O–H activation of the adsorbed H2O.

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