Density-functional theory study of high hydrogen content complex hydrides Mg(BH4)2 at low temperature

Renewable Energy

Volumn 90, Issue , 2016, Pages 114-119

  Goumri Said, Souraya ^a,b   Ahmed, Rashid ^c   Kanoun, Mohammed Benali ^a,b  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b ALFAISAL UNIVERSITY   (Saudi Arabia)

^c UNIVERSITI TEKNOLOGI MALAYSIA   (Malaysia)

Author keywords

DFT; Electronic band structure; H2 storage capacity; Magnesium borohydride; Optical properties; S type materials

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; CRYSTALLINE MATERIALS; ELECTRONIC STRUCTURE; ENERGY GAP; HYDRIDES; HYDROGEN STORAGE; MAGNESIUM; MECHANICAL STABILITY; OPTICAL PROPERTIES; STORAGE (MATERIALS); TEMPERATURE; VIRTUAL STORAGE;

AB INITIO CALCULATIONS; DENSITY FUNCTIONAL THEORY STUDIES; DFT; ELECTRONIC AND OPTICAL PROPERTIES; ELECTRONIC BAND STRUCTURE; LARGE BAND GAP MATERIALS; MAGNESIUM BOROHYDRIDE; STORAGE CAPACITY;

DENSITY FUNCTIONAL THEORY;

ELECTRONIC EQUIPMENT; HYDROGEN; LOW TEMPERATURE; MAGNESIUM; OPTICAL PROPERTY; STORAGE;

EID: 84952937299     PISSN: 09601481     EISSN: 18790682     Source Type: Journal    
DOI: 10.1016/j.renene.2015.12.044     Document Type: Article

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