Site specific interaction between ZnO nanoparticles and tyrosine: A density functional theory study

2018 ◽  
Author(s):  
Satvinder Singh ◽  
Janpreet Singh ◽  
Baljinder Singh ◽  
Gurinder Singh ◽  
Aman Kaura ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Zno Nanoparticles ◽  
Density Functional ◽  
Specific Interaction ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Site Specific

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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