Adsorption and dissociation of O2 on MoO2(1̄11) surfaces: a DFT study

Author:

Zhang Quan1234,Zhang Minhua5678ORCID,Wiltowski Tomasz12349ORCID

Affiliation:

1. Department of Mechanical Engineering and Energy Processes

2. Southern Illinois University

3. Carbondale

4. USA

5. R&D Center for Petrochemical Technology

6. Tianjin University

7. Tianjin 300072

8. P. R. China

9. Advanced Coal and Energy Research Center

Abstract

The adsorption and dissociation of O2 on MoO2(1̄11) surfaces were studied by density functional theory (DFT).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference78 articles.

1. Oxygen-induced p(1×3)-O reconstruction on Mo(): a precursor to the epitaxial formation of MoO2()

2. Solid state kinetics of the oxidation of MoO2 investigated by time-resolved X-ray absorption spectroscopy

3. V. S. Saji and S. I.Lopatin, Molybdenum and Its Compounds: Applications, Electrochemical Properties and Geological Implications, Nova Science Publishers, Incorporated, 2014

4. E. R. Braithwaite and J.Haber, Molybdenum: An Outline of Its Chemistry and Uses, Elsevier, 2013

5. Temperature-programed reduction of molybdenum(VI) oxide and molybdenum(IV) oxide

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