First-principles study on structural, electronic and optical properties of ln-doped Bi2O3 (Ln = Eu, Gd AND Er) as a photocatalyst / Nurul Syahirah Azhar
Crystal structures of α-Bi2O3 and β-Bi2O3 were calculated using Cambridge serial total energy package (CASTEP) based on the first-principles plane-wave ultrasoft pseudopotential method within local density approximation (LDA) and generalized gradient approximation (GGA) together with Perdew–Burke–Er...
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| Format: | Thesis |
| Language: | English |
| Published: |
2021
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| Subjects: | |
| Online Access: | https://ir.uitm.edu.my/id/eprint/60538/1/60538.pdf |
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