journal article·2017Open access

Large CO 2 uptake on a monolayer of CaO

G. R. Berdiyorov, M. Neek-Amal, I. A. Hussein, M. E. Madjet, F. M. Peeters

Abstract

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 CO 2 molecules, this material possesses a remarkably high CO 2 uptake capacity and is highly selective towards CO 2 against other major greenhouse gases.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Catalytic Processes in Materials Science · Chemical Looping and Thermochemical Processes · Carbon Dioxide Capture Technologies

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Qatar Environment and Energy Research Institute

Hamad Bin Khalifa University

Qatar Foundation

Doha

Qatar

Department of Physics

Shahid Rajaee Teacher Training University

Tehran

Iran

Gas Processing Center

College of Engineering

Qatar University

Departement Fysica

Universiteit Antwerpen

B-2020 Antwerpen

Belgium

References (30)

Show source-provided references
1. Betts · Nature · 2007 · 448 · 103710.1038/nature06045 ↗
2. Meyer · Nature · 2008 · 455 · 73310.1038/455733a ↗
3. Haszeldine · Science · 2009 · 325 · 164710.1126/science.1172246 ↗
4. Keith · Science · 2009 · 325 · 165410.1126/science.1175680 ↗
5. Chu · Nature · 2012 · 488 · 29410.1038/nature11475 ↗
6. Zhu · Chem. Soc. Rev. · 2014 · 43 · 546810.1039/C3CS60472A ↗
7. Sreenivasulu · Environ. Sci. Technol. · 2015 · 49 · 1264110.1021/acs.est.5b03149 ↗
8. Lee · J. Ind. Eng. Chem. · 2015 · 23 · 110.1016/j.jiec.2014.09.001 ↗
9. Li · Nanoscale · 2015 · 7 · 748210.1039/C5NR00518C ↗
10. Gadipelli · Prog. Mater. Sci. · 2015 · 69 · 110.1016/j.pmatsci.2014.10.004 ↗
11. Balasubramanian · J. Mater. Chem. A · 2015 · 3 · 2196810.1039/C5TA04822B ↗
12. Najafabadi · Renewable Sustainable Energy Rev. · 2015 · 41 · 151510.1016/j.rser.2014.09.022 ↗
13. Bontemps · Coord. Chem. Rev. · 2016 · 308 · 11710.1016/j.ccr.2015.06.003 ↗
14. Creamer · Environ. Sci. Technol. · 2016 · 50 · 727610.1021/acs.est.6b00627 ↗
15. Plaza · Fuel · 2007 · 86 · 220410.1016/j.fuel.2007.06.001 ↗
16. Pevida · Appl. Surf. Sci. · 2008 · 254 · 716510.1016/j.apsusc.2008.05.239 ↗
17. Cazorla · J. Phys. Chem. C · 2011 · 115 · 1099010.1021/jp201786h ↗
18. Shafeeyan · Fuel · 2012 · 94 · 46510.1016/j.fuel.2011.11.035 ↗
19. Chowdhury · Chem. Eng. J. · 2015 · 263 · 37410.1016/j.cej.2014.11.037 ↗
20. Vasu · Nat. Commun. · 2016 · 7 · 1216810.1038/ncomms12168 ↗
21. Berdiyorov · Phys. Rev. B: Condens. Matter Mater. Phys. · 2014 · 89 · 02410710.1103/PhysRevB.89.024107 ↗
22. Perdew · Phys. Rev. Lett. · 1996 · 77 · 386510.1103/PhysRevLett.77.3865 ↗
23. Grimme · J. Comput. Chem. · 2006 · 27 · 178710.1002/jcc.20495 ↗
24. Distributed by QuantumWise company, Copenhagen, Denmark, http://www.quantumwise.com
25. Soler · J. Phys.: Condens. Matter · 2002 · 14 · 2745
26. Karki · Phys. Rev. B: Condens. Matter Mater. Phys. · 2000 · 61 · 1310.1103/PhysRevB.61.8793 ↗
27. Manz · RSC Adv. · 2016 · 6 · 4777110.1039/C6RA04656H ↗
28. Limas · RSC Adv. · 2016 · 6 · 4572710.1039/C6RA05507A ↗
29. Madjet · J. Appl. Phys. · 2016 · 119 · 16550110.1063/1.4947271 ↗
30. R. Irons , B.Goh, C. E.Snape, A.Arenillas, T.Drage, K.Smith, J.Maier, B.Dhungel, P.Jackson, G.Sakellaropoulos, V.Stathopoulos, and G.Skodras, Assessment of options for CO2 capture and geological sequestration, Comparison of CO2 Capture Technologies and Enhancing CMM Production with CO2, European Commission, ISBN-9789279115905, 2007