Quantum chemical investigation of the electronic, optoelectronic, X-ray spectroscopy, and hydrogen storage capacity of AHfO3/BAgO3 (A = Cs, Ag; B = Hf, Cs) perovskite materials
This study focuses on investigating the structural, electronic, mechanical, X-ray spectroscopy, optoelectronic, and the hydrogen storage properties of AHfO3 and BAgO3 (A = Cs, Ag; B = Hf, Cs) perovskites using the first-principles density function theory (DFT) approach. The optimized compounds revea...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
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| Series: | Results in Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S221171562300320X |