A Theoretical Study of the Effect of Zr-, Nb-Doped and Vacancy-like Defects on H Desorption on MgH2 (110) Surface-Reference-Cited by-同舟云学术

A Theoretical Study of the Effect of Zr-, Nb-Doped and Vacancy-like Defects on H Desorption on MgH2 (110) Surface

Published:2014-02-14 Issue:8 Volume:118 Page:4231-4237
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Germán Estefanía¹²,Verdinelli Valeria²,Luna Carla R.²,Juan Alfredo²,Sholl David¹

Affiliation:

1. School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States

2. Instituto de Física del Sur (IFISUR, UNS-CONICET) and Departamento de Física, Universidad Nacional del Sur, 1253 Alem Avenue, B8000CPB Bahía Blanca, Argentina

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp411714d

Reference53 articles.

1. Hydrogen-storage materials for mobile applications

2. Catalytic effect of transition metals on hydrogen sorption in nanocrystalline ball milled MgH2–Tm (Tm=Ti, V, Mn, Fe and Ni) systems

3. Influence of selected alloying elements on the stability of magnesium dihydride for hydrogen storage applications: A first-principles investigation

4. Catalytic effect of additives on the hydrogen absorption properties of nano-crystalline MgH2(X) composites

5. Mechanical alloying and electronic simulations of (MgH2+M) systems (M=Al, Ti, Fe, Ni, Cu and Nb) for hydrogen storage

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