We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Simulation-Based Optical Spectra Analyses and Synthesis of Highly Monodispersed Mn-Doped ZnSe Nanocrystal.
- Authors
Abib, Mukerem H.; Yao, Xudong; Li, Guopeng; Mi, Longfei; Chang, Yajing; Wang, Hui; Yu, Dabin; Jiang, Yang
- Abstract
Geometrical structures of (ZnSe) n, , ( 1-4) and (Mn xZnSe, ( clusters were calculated using density functional theory (DFT). Optical/absorption spectra, Raman spectra, HOMO-LUMO gap energy and binding energy of each cluster were calculated. The calculated results show the red shift of the optical/absorption spectra band caused by the manganese atoms doped in ZnSe clusters, and the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap energy value is decreased. Furthermore, we realized highly monodispersed manganese-doped zinc selenide quantum dots (Mn:ZnSe d-dots) experimentally by using a convenient route. The as-synthesized Mn:ZnSe d-dots were characterized by UV-Vis absorption, photoluminescence (PL), X-ray diffraction (XRD), TEM and HRTEM. The experimental results revealed that the as-prepared Mn:ZnSe d-dots with zinc-blende structure have an average size of about 3.9 nm. The general synthesis scheme of Mn:ZnSe d-dots; Mn2+ and Zn2+ ions were introduced into the d-dots in the initial formation stage. Manganese and zinc were allowed to react with the Se precursor at about 280-290°C. Hence Mn:ZnSe d-dots with high monodisperse, excellent optical quality, and pure dopant emission, were synthesized. Additionally, Mn-doped ZnSe clusters were calculated using density functional theory (DFT).
- Subjects
MANGANESE; ZINC selenide; DOPING agents (Chemistry); NANOCRYSTALS; MONODISPERSE colloids; OPTICAL spectra; DENSITY functional theory; SIMULATION methods &; models
- Publication
NANO, 2016, Vol 11, Issue 8, p-1
- ISSN
1793-2920
- Publication type
Article
- DOI
10.1142/S1793292016500867