| 학회 |
한국재료학회 |
| 학술대회 |
2004년 봄 (05/14 ~ 05/14, 강릉대학교) |
| 권호 |
10권 1호 |
| 발표분야 |
반도체 II (화합물) |
| 제목 |
제일원리 계산을 통한 InMO4 (M=Ta, Nb, V) 광촉매의 전자구조 |
| 초록 |
The compounds InMO4 (M=Ta, Nb, V) are promising photocatalysts which are able to induce hydrolysis of water molecules under visible light irradiation. We have investigated their atomic and electronic structures by first principles calculations. The band structure of the photocatalysts is defined by Ta/Nb/V d-level for a conduction band and O 2p-level for a valence band. The bandgaps of InTaO4, InNbO4 and InVO4 were estimated to be 3~3.7 eV, which correspond to the UV region. Doping and oxygen vacancy level for photocatalyst application will be further discussed. |
| 저자 |
최용수, 인은정, 공기정, 장현주, 최영민, 이정오, 류병환, 백진욱, 문상진
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| 소속 |
한국화학(연) |
| 키워드 |
photocatalyst; first principle calculations
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| E-Mail |
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