http://www.cnr.it/ontology/cnr/individuo/prodotto/ID57570

Electronic Principles of Some Trends in Properties of Metallic Hydrides (Articolo in rivista)

Type

Articolo in rivista (Classe)
Prodotto della ricerca (Classe)

Label

Electronic Principles of Some Trends in Properties of Metallic Hydrides (Articolo in rivista) (literal)

Anno

2010-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

10.1142/S0217979210064320 (literal)

Alternative label

Ivanovic Nenad; Novakovic Nikola; Colognesi Daniele; Radisavljevic Ivana; Ostojic Stanko (2010)
Electronic Principles of Some Trends in Properties of Metallic Hydrides
in International journal of modern physics b
(literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

Ivanovic Nenad; Novakovic Nikola; Colognesi Daniele; Radisavljevic Ivana; Ostojic Stanko (literal)

Pagina inizio

703 (literal)

Pagina fine

710 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#altreInformazioni

Conference proceedings 11th Annual YUCOMAT Conference 2009 Location: Heroeg Novi, MONTENEGRO Date: AUG 31-SEP 04, 2009 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

http://www.worldscientific.com/doi/abs/10.1142/S0217979210064320 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

24 (literal)

Rivista

International journal of modern physics b (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note

fasc. (6-7). Selected Papers of the 11th Annual Materials Research Society of Serbia Conference (YUCOMAT 2009), 31 August - 4 September 2009; Editors: Dragan P. Uskokovic', Slobodan K. Milonjic' and Dejan I. Rakovic. World Scientific. (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

6-7 (literal)

Note

ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

1. Vinca Institute of Nuclear Sciences, University of Belgrade, POB 522, 11001 Belgrade, Serbia 2. Istituto dei Sistemi Complessi, Sezione di Firenze, via Madonna del Piano 10, 50019 Sesto Fiorentino (FI), Italy 3. University of Belgrade, Faculty of Technology and Metallurgy, Karnegijeva 4, 11120 Belgrade, Serbia (literal)

Titolo

Electronic Principles of Some Trends in Properties of Metallic Hydrides (literal)

Abstract

Due to their extensive present, important and versatile potential applications, metal hydrides (MH) are among the most investigated solid-state systems. Theoretical, numerical and experimental studies have provided a considerable knowledge about their structure and properties, but in spite of that, the basic electronic principles of various interactions present in MH have not yet been completely resolved. Even in the simplest MH, i.e. alkali hydrides (Alk-H), some trends in physical properties, and especially their deviations, are not well understood. Similar doubts exist for the alkaline-earth hydride (AlkE-H) series, and are even more pronounced for complex systems, like transition metaldoped AlkE-H, alanates and borohydrides. This work is an attempt of explaining some trends in the physical properties of Alk-H and AlkE-H, employing the Bader analysis of the charge distribution topology evaluated by first-principle all-electron calculations. These results are related to some variables commonly used in the explanation of experimental and calculated results, and are also accompanied by simple tight-binding estimations. Such an approach provides a valuable insight in the characteristics of M-H and H-H interactions in these hydrides, and their possible changes along with external parameters, like temperature, pressure, defect or impurity introduction. The knowledge of these basic interactions and processes taking place in simple MH are essential for the design and optimisation of complex MH-systems interesting for practical hydrogen storage applications. (literal)

Prodotto di