First principles calculation of perovskite‐type hydrides KXH3 (X=Al, Cu) for hydrogen storage applications
The primary objective of this paper is to characterize the perovskite-type hydrides KXH3 (X=Al, Cu) and explore their potential for hydrogen storage applications using density functional theory (DFT). The study investigates various aspects such as structure, electronic and optical properties, stabil...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2023-01-01
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| Series: | E3S Web of Conferences |
| Subjects: | |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2023/106/e3sconf_icegc2023_00067.pdf |