Enhanced H2S sensing performance of cobalt doped free-standing TiO2 nanotube array film and theoretical simulation based on density functional theory

2019 ◽  
Vol 469 ◽  
pp. 414-422 ◽  
Author(s):  
Xin Tong ◽  
Wenhao Shen ◽  
Xiaoquan Chen
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Tio2 Nanotube ◽  
Tio2 Nanotube Array ◽  
Free Standing ◽  
Functional Theory ◽  
Nanotube Array ◽  
Theoretical Simulation ◽  
Simulation Based ◽  
Sensing Performance

TiO2 nanotube array-modified electrodes for L-cysteine biosensing: experimental and density-functional theory study

2020 ◽  
Vol 31 (50) ◽  
pp. 505501
Author(s):  
Muhammad Hussain ◽  
Nilem Khaliq ◽  
Amjad Nisar ◽  
Maaz Khan ◽  
Shafqat Karim ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Modified Electrodes ◽  
Tio2 Nanotube ◽  
Density Functional Theory Study ◽  
Tio2 Nanotube Array ◽  
Functional Theory ◽  
Nanotube Array

Adsorption of the Gas Molecules (NH3, C2H6O, C3H6O, CO, H2S) on noble metal (Ag, Au, Pt, Pd, Ru)–Doped MoSe2 Monolayer: A First-Principles Study

2021 ◽  
Author(s):  
Lanjuan Zhou ◽  
Sujing Yu ◽  
Yan Yang ◽  
Qi Li ◽  
Tingting Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Noble Metal ◽  
First Principles ◽  
Density Functional ◽  
Noble Metals ◽  
Gas Sensing ◽  
Functional Theory ◽  
First Principles Study ◽  
Gas Molecules ◽  
Sensing Performance

In this paper, the effects of five noble metals (Au, Pt, Pd, Ag, Ru) doped MoSe2 on improving gas sensing performance were predicted through density functional theory (DFT) based on...

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.

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