Density functional theory analysis of the stability of H<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si83.svg" display="inline" id="d1e1355"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O and CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si83.svg" display="inline" id="d1e1363"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>-derived surface species over low-index Ni facets-Reference-Cited by-同舟云学术

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Density functional theory analysis of the stability of H2O and CO2-derived surface species over low-index Ni facets

Published:2024-10 Issue: Volume:669 Page:160375
ISSN:0169-4332
Container-title:Applied Surface Science
language:en
Short-container-title:Applied Surface Science

Author:

Kumari Saroj,Deshpande Parag A.^ORCID

Publisher

Elsevier BV

Reference72 articles.

1. The hydration of carbon dioxide;Kern;J. Chem. Educ.,1960

2. The kinetics of the hydration of carbon dioxide at 25;Ho;J. Biol. Chem.,1963

3. Investigating the application of enzyme carbonic anhydrase for CO2 sequestration purposes;Mirjafari;Ind. Eng. Chem. Res.,2007

4. Carbonic anhydrase as CO2 capturing agent: its classes and catalytic mechanisms;Kanth;Recent Adv. Biol. Med. Phys. Med. Chem. Biochem. Biomed. Eng.,2013

5. Protonation and Reactivity towards Carbon Dioxide of the Mononuclear Tetrahedral Zinc and Cobalt Hydroxide Complexes, [TpBut,Me]ZnOH and [TpBut,Me]CoOH: Comparison of the Reactivity of the Metal Hydroxide Function in Synthetic Analogues of Carbonic Anhydrase

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