scholarly journals Electronic Zero-Point Oscillations in the Strong-Interaction Limit of Density Functional Theory

2009 ◽  
Vol 5 (4) ◽  
pp. 743-753 ◽  
Author(s):  
Paola Gori-Giorgi ◽  
Giovanni Vignale ◽  
Michael Seidl
Keyword(s):  
Density Functional Theory ◽  
Strong Interaction ◽  
Density Functional ◽  
Zero Point ◽  
Functional Theory

scholarly journals Large CO2 uptake on a monolayer of CaO

2017 ◽  
Vol 5 (5) ◽  
pp. 2110-2114 ◽  
Author(s):  
G. R. Berdiyorov ◽  
M. Neek-Amal ◽  
I. A. Hussein ◽  
M. E. Madjet ◽  
F. M. Peeters
Keyword(s):  
Density Functional Theory ◽  
Greenhouse Gases ◽  
Strong Interaction ◽  
Density Functional ◽  
Gas Adsorption ◽  
Density Functional Theory Calculations ◽  
Adsorption Properties ◽  
Co2 Uptake ◽  
Uptake Capacity ◽  
Functional Theory

Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity and is highly selective towards CO2 against other major greenhouse gases.

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