Dynamic stability of palladium hydride: An ab initio study

International Journal of Hydrogen Energy

Volumn 36, Issue 1, 2011, Pages 1254-1258

  Isaeva, L E ^a   Bazhanov, D I ^a   Isaev, E I ^b,c   Eremeev, S V ^d   Kulkova, S E ^d   Abrikosov, I A ^c  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b NATIONAL UNIVERSITY OF SCIENCE AND TECHNOLOGY MISIS   (Russian Federation)

^c LINKÖPING UNIVERSITY   (Sweden)

^d INSTITUTE OF STRENGTH PHYSICS AND MATERIALS SCIENCE   (Russian Federation)

Author keywords

Ab initio calculations; Dynamic stability; Hydrides; Phonons; Vacancies

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; DYNAMIC PROPERTY; DYNAMIC STABILITY; EQUILIBRIUM STATE; HYDROGEN ATOMS; PALLADIUM HYDRIDE; PHONON DISPERSIONS; SITE OCCUPATION; VACANCY FORMATION;

CALCULATIONS; CRYSTAL STRUCTURE; DEFECTS; HYDRIDES; HYDROGEN; PHONONS; STABILITY; THERMODYNAMIC PROPERTIES; VACANCIES;

PHASE TRANSITIONS;

EID: 79251649194     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2010.06.130     Document Type: Conference Paper

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