Isocyanic acid (HNCO) adsorption on the flat and defective Rh(001) surfaces: Pure DFT and DFT+vdW calculations-Reference-Cited by-同舟云学术

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Isocyanic acid (HNCO) adsorption on the flat and defective Rh(001) surfaces: Pure DFT and DFT+vdW calculations

Published:2020-03 Issue: Volume:138 Page:109162
ISSN:0022-3697
Container-title:Journal of Physics and Chemistry of Solids
language:en
Short-container-title:Journal of Physics and Chemistry of Solids

Author:

Malonga Matanou C.L.,Malonda-Boungou B.R.,N'dollo M.,Nkoua Ngavouka Maryse D.,Moussounda P.S.,Raji A.T.,M'Passi-Mabiala B.

Funder

Center for High Performance Computing

Publisher

Elsevier BV

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Reference73 articles.

1. Atomic and molecular adsorption on Fe(110)

2. Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

3. Investigation of ternary ConCN−1/0 (n = 1–5) clusters by density functional calculations

4. Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces

5. Oxygen Reduction Reaction on Classically Immiscible Bimetallics: A Case Study of RhAu

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1. Molecular dissociation of nitric oxide (NO) on VO2(010) surface : A DFT study including vdW forces;Computational and Theoretical Chemistry;2024-09

2. Oxygen adsorption on pristine MnBi and Ta-capped MnBi thin-films: Ab-initio study of structural and electronic properties, and magnetic anisotropy;Journal of Magnetism and Magnetic Materials;2024-03

3. 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

4. Operando Raman spectroelectrochemical study of polyaniline degradation: A joint experimental and theoretical analysis;Journal of Energy Storage;2022-11

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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