scholarly journals Metal oxide adsorption on fullerene C60 and its potential for adsorption of pollutant gases; density functional theory studies

RSC Advances ◽  
2021 ◽  
Vol 11 (28) ◽  
pp. 17377-17390
Author(s):  
Sanaz Haghgoo ◽  
A.-Reza Nekoei
Keyword(s):  
Density Functional Theory ◽  
Metal Oxide ◽  
Metal Oxides ◽  
Density Functional ◽  
Gas Sensing ◽  
Fullerene C60 ◽  
Functional Theory ◽  
Sensing Applications ◽  
The Individual ◽  
Pollutant Gases

Combinations of C60 and metal oxides (MOx) are interesting, not only because they display the individual properties of C60 and of MOx nanoparticles, but they may also exhibit synergetic properties that are advantageous for gas sensing applications.

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...

Germanene: a new electronic gas sensing material

RSC Advances ◽  
2016 ◽  
Vol 6 (104) ◽  
pp. 102264-102271 ◽  
Author(s):  
Sanjeev K. Gupta ◽  
Deobrat Singh ◽  
Kaptansinh Rajput ◽  
Yogesh Sonvane
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Electronic Properties ◽  
Structural Stability ◽  
Density Functional ◽  
Gas Sensing ◽  
Functional Theory ◽  
Adsorption Characteristics ◽  
Sensing Material ◽  
Gas Molecules

The structural stability and electronic properties of the adsorption characteristics of several toxic gas molecules (NH3, SO2 and NO2) on a germanene monolayer were investigated using density functional theory (DFT) based on an ab initio method.

Experimental and density functional theory investigation of Pt-loaded titanium dioxide/molybdenum disulfide nanohybrid for SO2 gas sensing

2019 ◽  
Vol 43 (12) ◽  
pp. 4900-4907 ◽  
Author(s):  
Dongzhi Zhang ◽  
Maosong Pang ◽  
Junfeng Wu ◽  
Yuhua Cao
Keyword(s):  
Density Functional Theory ◽  
Titanium Dioxide ◽  
Molybdenum Disulfide ◽  
Self Assembly ◽  
High Performance ◽  
Density Functional ◽  
Gas Sensing ◽  
Layer By Layer ◽  
Functional Theory ◽  
So2 Gas

A high-performance sulfur dioxide sensor based on a platinum-loaded titanium dioxide/molybdenum disulfide ternary nanocomposite is synthesized via layer-by-layer self-assembly.

Inorganic gas sensing of green phosphorene nanosheet: insights from density functional theory

2020 ◽  
Vol 32 (35) ◽  
pp. 355002
Author(s):  
Zhuo Mao ◽  
Shengjie Dong ◽  
Jiesen Li ◽  
Xiang Lin ◽  
Xiaodong Jian ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Gas Sensing ◽  
Functional Theory
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