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  • 02월 26일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제115회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Asymmetric-Potential-Well Model for CdSe Quantum Dots in Dielectric Media [우수포스터상]

2015년 2월 25일 18시 41분 36초
PHYS.P-464 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
4월 15일 (수요일) 16:00~19:00
저자 및
정화준, 신승구*
포항공과대학교(POSTECH) 화학과, Korea
We employed the finite-potential-well model with a dielectric boundary to calculate the optical properties of CdSe quantum dots (QDs) in chloroform. The bandgap and oscillator strength of CdSe QD obtained from theory were compared with experiments. The kinetic energies of electron and hole in finite potential wells were calculated by using the effective mass approximation. The Coulomb potential energy was treated as a perturbation. The Coulomb potential energy included the effects of dielectric boundary set by the size-dependent dielectric constant of QD, the static dielectric constant of solvent, and the continuously varying dielectric constants at the ligand-covered interface between QD and solvent. To calculate the bandgap of Cd- or Se-rich QDs, we modified the finite-potential-well model by asymmetrically expanding the confined region of either electron or hole. In the case of Cd-rich (or Se-rich) QD, the conduction (or valence) band region was expanded by one Cd (or Se) atom. The oscillator strength of CdSe QDs was obtained by taking account into the atomic transition moment of CdSe unit calculated from time-dependent density functional theory. The present asymmetric-potential-well model provides the bandgap and oscillator strength that are in good agreement with experiments.