Atomistic modeling of interfacial interaction between polyvinyl chloride and polypropylene with Boron-Nitride monolayer sheet: A density functional theory study

2017 ◽  
Vol 111 ◽  
pp. 23-31 ◽  
Author(s):  
A. Hamed Mashhadzadeh ◽  
A. Fereidoon ◽  
M. Ghorbanzadeh Ahangari
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Polyvinyl Chloride ◽  
Density Functional ◽  
Interfacial Interaction ◽  
Atomistic Modeling ◽  
Density Functional Theory Study ◽  
Functional Theory

A density functional theory study on CO2 capture and activation by graphene-like boron nitride with boron vacancy

2011 ◽  
Vol 175 (1) ◽  
pp. 271-275 ◽  
Author(s):  
Yan Jiao ◽  
Aijun Du ◽  
Zhonghua Zhu ◽  
Victor Rudolph ◽  
Gao Qing (Max) Lu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Co2 Capture ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
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