Interaction of magnesium hydride clusters with Nb doped MgO additive studied by density functional calculations

Author:

Sandhya K. S.12345,Pukazhselvan D.678910ORCID,Fagg Duncan Paul678910,Koga Nobuaki12345

Affiliation:

1. Department of Complex Systems Science

2. Graduate School of Information Science

3. Nagoya University

4. Japan

5. Core Research for Evolutional Science and Technology

6. Nanoengineering Research Group

7. Centre for Mechanical Technology and Automation (TEMA)

8. Department of Mechanical Engineering

9. 3810-193 Aveiro

10. Portugal

Abstract

The hydrogen adsorption behaviour of MgO differs significantly to that of Nb doped MgO, draws new promising applications in hydrogen storage and catalysis.

Funder

Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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