Density functional studies of the adsorption of OCN and coadsorption of O and CN on Ag(001) surface-Reference-Cited by-同舟云学术

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Density functional studies of the adsorption of OCN and coadsorption of O and CN on Ag(001) surface

Published:2020-03 Issue: Volume:22 Page:e00446
ISSN:2352-2143
Container-title:Computational Condensed Matter
language:en
Short-container-title:Computational Condensed Matter

Author:

Boungou C.C.,N'dollo M.,Bouka-Pivoteau G.B.,Moussounda P.S.,Dintzer T.

Funder

Institut de Chimie et Procédés pour l’Energie, l’Environnement et la Santé

Publisher

Elsevier BV

Subject

Materials Chemistry,Condensed Matter Physics,Materials Science (miscellaneous),Electronic, Optical and Magnetic Materials

Reference80 articles.

1. Low temperature selective oxidation of ammonia to nitrogen on silver-based catalysts;Gang;Appl. Catal. B Environ.,2003

2. Ammonia synthesis: the bellwether reaction in heterogeneous catalysis;Boudart;Top. Catal.,1994

3. The brønsted–evans–polanyi relation and the volcano plot for ammonia synthesis over transition metal catalysts;Logadottir;J. Catal.,2001

4. Characterization and applications of Ag nanoparticles in waveguides;Roldan;Appl. Surf. Sci.,2007

5. Theoretical Simulation of isocyanate (NCO) adsorption on the Ag(001) surface;Boungou;J. Korean Phys. Soc.,2016

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1. Study on adsorption behaviors of different cresols: First-principles calculation;Journal of Molecular Liquids;2023-11

2. Molecular adsorption of the NCO, CNO and CON isomers on the Rh(001) surface : A standard DFT and DFT+U calculations;Computational and Theoretical Chemistry;2023-02

3. Molecular Adsorption of the Nco, Cno and Con Isomers on the Rh(001) Surface: A Density Functional Theory Study;SSRN Electronic Journal;2022

4. Molecular Adsorption of the Nco, Cno and Con Isomers on the Rh(001) Surface: A Density Functional Theory Study;SSRN Electronic Journal;2022

5. Coverage-dependent adsorption of nitrous oxide (N2O) on perfect and defective Cu(0 0 1) surfaces: A DFT investigation with and without van der Walls forces;Computational and Theoretical Chemistry;2021-11

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