Explaining Improved Photocatalytic Activity of Double-walled TiO2 Nanotube: A Hybrid Density Functional Calculation

2021 ◽  
pp. 151021
Author(s):  
Yingtao Zhu ◽  
Long Zhang ◽  
Lijian Li ◽  
Chen Zhao ◽  
Jiayin Li ◽  
...  
Keyword(s):  
Photocatalytic Activity ◽  
Density Functional ◽  
Tio2 Nanotube ◽  
Density Functional Calculation ◽  
Hybrid Density Functional

Bifunctional 4MBA mediated recyclable SERS-based immunoassay induced by photocatalytic activity of TiO2 nanotube arrays

2016 ◽  
Vol 18 (34) ◽  
pp. 23795-23802 ◽  
Author(s):  
Xiaolong Wang ◽  
Lu Zhou ◽  
Wei Lai ◽  
Tao Jiang ◽  
Jun Zhou
Keyword(s):  
Density Functional Theory ◽  
Photocatalytic Activity ◽  
Detection Limit ◽  
Uv Irradiation ◽  
Density Functional ◽  
Tio2 Nanotube Arrays ◽  
Tio2 Nanotube ◽  
Nanotube Arrays ◽  
Functional Theory ◽  
Low Detection Limit

We present a recyclable SERS-based immunoassay for CA19-9 with a low detection limit of 5 U mL−1. The linking between TiO2-NTs and 4MBA was destroyed by catalyzing 4MBA into 4-sulfobenzoate upon UV irradiation, which was clarified by UPLC/ESI-tqMS and density functional theory.

A hybrid density functional study on the visible light photocatalytic activity of (Mo,Cr)–N codoped KNbO3

2015 ◽  
Vol 17 (43) ◽  
pp. 28743-28753 ◽  
Author(s):  
Guangzhao Wang ◽  
Hong Chen ◽  
Yang Li ◽  
Anlong Kuang ◽  
Hongkuan Yuan ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Functional Study ◽  
Redox Level ◽  
Hybrid Density Functional ◽  
Decomposition Of Water ◽  
Visible Light Photocatalytic

To improve the photocatalytic performance of KNbO3 for the decomposition of water into hydrogen and oxygen, the electronic structure of KNbO3 should be modified to have a suitable bandgap with band edge positions straddling the water redox level so as to sufficiently absorb visible light.

Understanding the mechanism of enhanced charge separation and visible light photocatalytic activity of modified wurtzite ZnO with nanoclusters of ZnS and graphene oxide: from a hybrid density functional study

2017 ◽  
Vol 41 (16) ◽  
pp. 8140-8155 ◽  
Author(s):  
Francis Opoku ◽  
Krishna Kuben Govender ◽  
Cornelia Gertina Catharina Elizabeth van Sittert ◽  
Penny Poomani Govender
Keyword(s):  
Photocatalytic Activity ◽  
Graphene Oxide ◽  
Visible Light ◽  
Charge Separation ◽  
Driving Force ◽  
Density Functional ◽  
Functional Study ◽  
Splitting Water ◽  
Hybrid Density Functional ◽  
Visible Light Photocatalytic

A hybrid ternary ZnS/GO/ZnO(001) system achieved enough driving force for splitting water into H2 gas.

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