First-principles investigations for the structural, optoelectronic and hydrogen storage properties of double perovskite KNaMg2F6-xHx and KNaAe2H6(Ae=Be, Mg, Ca)
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109
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Topics
Keywords
- Hydrogen storage
- Band gap
- Ionic bonding
- Materials science
- Perovskite (structure)
- Density functional theory
- Desorption
- Hydrogen
UN Sustainable Development Goals
- Affordable and clean energy
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