Theoretical characterization of charge-transfer reactions between N2 and O2 molecules and paramagnetic oxygen vacancies on the MgO surface-Reference-Cited by-同舟云学术

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Theoretical characterization of charge-transfer reactions between N2 and O2 molecules and paramagnetic oxygen vacancies on the MgO surface

Published:2001-05 Issue:1-3 Volume:479 Page:83-97
ISSN:0039-6028
Container-title:Surface Science
language:en
Short-container-title:Surface Science

Author:

Maria Ferrari Anna,Soave Raffaella,D’Ercole Annalisa,Pisani Cesare,Giamello Elio,Pacchioni Gianfranco

Publisher

Elsevier BV

Subject

Materials Chemistry,Surfaces, Coatings and Films,Surfaces and Interfaces,Condensed Matter Physics

Reference59 articles.

1. Computer simulation of defects and reactions at oxide surfaces

2. Molecular properties of the magnesia surface

3. Electronic Structure of F and V Centers on the MgO Surface

4. A Check of Quantum Chemical Molecular Models of Adsorption on Oxides against Experimental Infrared Data

5. Unimportance of the Surrounding Lattice in the Adsorption of CO on Low-Coordinated Mg Sites of MgO

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1. Elucidating the effect of intrinsic defects on the dosimetric properties of the MgB₄O₇compound: an atomistic simulation approach;New Journal of Chemistry;2022

2. Comparison between cluster and supercell approaches: the case of defects in diamond;Theoretical Chemistry Accounts;2017-03-06

3. Location of Trapped Electron Centers in the Bulk of Epitaxial MgO(001) Films Grown on Mo(001) Usingin situW-band Electron Paramagnetic Resonance Spectroscopy;Physical Review Letters;2016-06-27

4. NO₂ Interaction with Au Atom Adsorbed on Perfect and Defective MgO(100) Surfaces: Density Functional Theory Calculations;Journal of Nanoscience and Nanotechnology;2013-10-01

5. Interaction of O 2 and N 2 molecules with Au deposited on regular and defective CaO (001) surfaces: Density functional calculations;Thin Solid Films;2013-10

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