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  • 02월 22일 16시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

X-ray Photoelectron Spectroscopy and First Principles Calculation of Silicon-doped Boron Nitride Nanotubes

등록일
2008년 2월 14일 10시 49분 59초
접수번호
1275
발표코드
29P7포 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 <발표Ⅰ>
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
조용재, 박정희, 최현철1, 강홍석2
고려대학교 소재화학과,
1전남대학교 화학과,
2전주대학교 나노신소재공학과,
Multiwalled silicon-doped boron nitride nanotubes (Si-doped BN NTs) were synthesized via thermal chemical vapor deposition. They have 5% Si atoms homogeneously doped into the outerlayers of BN NTs. The electronic structures of the Si, C, and N atoms were thoroughly probed by synchrotron X-ray photoelectron spectroscopy and the X-ray absorption near edge structure method. The Si-dope BN NTs contain a significant amount of Si substituted for B sites, which reduces the  bonding states of the N atoms. From the XPS valence band spectrum, the band gap was estimated to be about 3.9 eV. Using the first principles method, we investigated the relative stabilities and electronic structures of the various isomers of the double-walled (12,0)@(20,0) BCN NTs. A considerable decrease of the band gap was predicted, which was consistent with the experimental results.

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