High pressure and temperature study of hydrogen storage material BH 3NH3 from ab initio calculations

Journal of Physics and Chemistry of Solids

Volumn 71, Issue 8, 2010, Pages 1137-1139

  Ramzan, M ^a   Ahuja, R ^a,b  

^a UPPSALA UNIVERSITY   (Sweden)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

C. High pressure; D. Phase transition

Indexed keywords

AB INITIO CALCULATIONS; C. HIGH PRESSURE; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; HYDROGEN STORAGE MATERIALS; PHASE TRANSFORMATION;

DENSITY FUNCTIONAL THEORY; HIGH PRESSURE ENGINEERING; HYDROGEN STORAGE;

PHASE TRANSITIONS;

EID: 77955551448     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2010.03.021     Document Type: Conference Paper

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