Standard

Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters. / Siretskiy, M.Yu.; Fruchart, D.; Miraglia, S.; Skryabina, N.E.

In: Journal of Alloys and Compounds, Vol. 480, No. 1, 2009, p. 114-116.

Research output: Contribution to journal › Article

Harvard

Siretskiy, MY, Fruchart, D, Miraglia, S & Skryabina, NE 2009, 'Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters', Journal of Alloys and Compounds, vol. 480, no. 1, pp. 114-116. https://doi.org/doi:10.1016/j.jallcom.2008.10.040

APA

Siretskiy, M. Y., Fruchart, D., Miraglia, S., & Skryabina, N. E. (2009). Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters. Journal of Alloys and Compounds, 480(1), 114-116. https://doi.org/doi:10.1016/j.jallcom.2008.10.040

Vancouver

Siretskiy MY, Fruchart D, Miraglia S, Skryabina NE. Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters. Journal of Alloys and Compounds. 2009;480(1):114-116. https://doi.org/doi:10.1016/j.jallcom.2008.10.040

Author

Siretskiy, M.Yu. ; Fruchart, D. ; Miraglia, S. ; Skryabina, N.E. / Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters. In: Journal of Alloys and Compounds. 2009 ; Vol. 480, No. 1. pp. 114-116.

BibTeX

@article{2f7ad59f7e0840b482ff57e3c36074b8,
title = "Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters",
abstract = "We report on the study of (MgH2)n + M complexes (M = Ti or Ni) carried out within the framework of the cluster density functional theory (DFT) method. The influence of such transition metal atoms on the cluster geometry and electronic structure is discussed considering the stability of MgH2 hydride.",
keywords = "Hydrogen absorbing materials, Computer simulation",
author = "M.Yu. Siretskiy and D. Fruchart and S. Miraglia and N.E. Skryabina",
year = "2009",
doi = "doi:10.1016/j.jallcom.2008.10.040",
language = "English",
volume = "480",
pages = "114--116",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier",
number = "1",

}

RIS

TY - JOUR

T1 - Influence of a transition metal atom on the geometry and electronic structure of Mg and Mg–H clusters

AU - Siretskiy, M.Yu.

AU - Fruchart, D.

AU - Miraglia, S.

AU - Skryabina, N.E.

PY - 2009

Y1 - 2009

N2 - We report on the study of (MgH2)n + M complexes (M = Ti or Ni) carried out within the framework of the cluster density functional theory (DFT) method. The influence of such transition metal atoms on the cluster geometry and electronic structure is discussed considering the stability of MgH2 hydride.

AB - We report on the study of (MgH2)n + M complexes (M = Ti or Ni) carried out within the framework of the cluster density functional theory (DFT) method. The influence of such transition metal atoms on the cluster geometry and electronic structure is discussed considering the stability of MgH2 hydride.

KW - Hydrogen absorbing materials

KW - Computer simulation

U2 - doi:10.1016/j.jallcom.2008.10.040

DO - doi:10.1016/j.jallcom.2008.10.040

M3 - Article

VL - 480

SP - 114

EP - 116

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

IS - 1

ER -

ID: 5079800