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  • 09월 06일 15시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제112회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Effect of Bond Covalency on the Band Structure and Photocatalytic Activity of Silver Oxosalts

2013년 8월 29일 17시 18분 14초
MAT.P-1086 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 16일 (수요일) 16:00~19:00
저자 및
JINXIAOYAN, 김인영, 황보명환1, 황성주*
이화여자대학교 화학·나노과학과, Korea
1미국, Korea
The effects of the bond covalency of oxosalt group on the electronic structure, surface property, and photocatalytic activity of silver oxosalts, Agx(XOy)z, are systematically investigated with comparative experiments and theoretical calculation. The covalency of (X-O) bond is sensitive to the charge-to-size (Z/r) ratio of central atom (X). The increase of the Z/r ratio causes the enhancement of the bond covalency of (X-O) and in turn the decrease of the covalent character of neighboring (Ag-O) bond via bond competition effect. The resulting narrowing of band width induces the enlargement of bandgap separation. A useful empirical formula about the linear relationship between the Z/r ratio of the central atom of oxosalt group and the △E of silver oxosalts is obtained from the experimental data of several silver oxosalt compounds. The relationship between the Z/r ratio of central atom and photocatalyst performance is well-confirmed by experimental studies on a series of silver oxosalts, Ag2CO3, Ag3PO4, Ag3AsO4, and Ag2SO4. On the basis of the theoretical conjecture, Ag2SeO4 is newly found to exhibit promising visible light photocatalytic activity. The present results clearly demonstrate that the Z/r ratio of central atom has profound influence on the photocatalyst performance and band structure of silver oxosalts.