scholarly journals Platinum-Doped Anatase (101) Surface as Promising Gas-Sensor Materials for HF, CS2, and COF2: A Density Functional Theory Study

ACS Omega ◽  
2020 ◽  
Author(s):  
Zhengqin Cao ◽  
Wei Li ◽  
Qiang Yao ◽  
Haiyan Zhang ◽  
Gang Wei
Keyword(s):  
Density Functional Theory ◽  
Gas Sensor ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Sensor Materials

An innovative gas sensor system designed from a sensitive nanostructured ZnO for the selective detection of SOx molecules: a density functional theory study

2017 ◽  
Vol 41 (21) ◽  
pp. 12569-12580 ◽  
Author(s):  
Amirali Abbasi ◽  
Jaber Jahanbin Sardroodi
Keyword(s):  
Density Functional Theory ◽  
Gas Sensor ◽  
Zno Nanoparticles ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Selective Detection ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Adsorption Behaviors ◽  
Doped Zno

The adsorption behaviors of SOx molecules on pristine and N-doped ZnO nanoparticles were investigated using density functional theory calculations (DFT).

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