Density-functional theory study of high hydrogen content complex hydrides Mg(BH4)2 at low temperature
We present a systematic study of the low temperature and hexagonal structure of magnesium borohydride, a crystalline material designed for hydrogen storage purpose. We investigated, using ab-initio calculations, the structural, electronic and optical properties. Our calculated results for structural...
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| Main Authors: | , , |
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| Format: | Article |
| Published: |
Elsevier Ltd
2016
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| Subjects: | |
| Online Access: | http://eprints.utm.my/69142/ http://eprints.utm.my/69142/ http://eprints.utm.my/69142/ |
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