Hybrid functional calculations of potential hydrogen storage material: Complex dimagnesium iron hydride

International Journal of Hydrogen Energy

Volumn 39, Issue 18, 2014, Pages 9709-9717

  Ul Haq, Bakhtiar ^a   Kanoun, Mohammed Benali ^b   Ahmed, Rashid ^a   Bououdina, Mohamed ^c   Goumri Said, Souraya ^b  

^a UNIVERSITI TEKNOLOGI MALAYSIA   (Malaysia)

^b KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^c UNIVERSITY OF BAHRAIN   (Bahrain)

Author keywords

DFT; Electronic structure; Hydrides; Optical properties; Storage capacity

Indexed keywords

ELECTRONIC STRUCTURE; HYDRIDES; OPTICAL PROPERTIES;

DFT; ELECTRONIC BAND STRUCTURE CALCULATION; FIRST-PRINCIPLES APPROACHES; HYDROGEN STORAGE MATERIALS; POTENTIAL HYDROGENS; SEMICONDUCTING MATERIALS; STORAGE CAPACITY; TRANSPARENT MATERIAL;

HYDROGEN STORAGE;

EID: 84902267219     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2014.04.014     Document Type: Article

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