Structural, electronic and optical properties of Bi2O3 polymorphs by first-principles calculations for photocatalytic water splitting
Crystal structures of Bi2O3 and 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-Ernzer...
| 發表在: | Materials Research Express |
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| 主要作者: | |
| 格式: | Article |
| 語言: | English |
| 出版: |
Institute of Physics Publishing
2017
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85016749765&doi=10.1088%2f2053-1591%2faa5f67&partnerID=40&md5=d5382c21099217249bad7903a9b7dad1 |