Simulation-Based Optical Spectra Analyses and Synthesis of Highly Monodispersed Mn-Doped ZnSe Nanocrystal

Abstract

Geometrical structures of (ZnSe) n , n ¼ 3x, (x ¼ 1-4) and (Mn x Zn 2x Se 3x Þ, (x ¼ 1À4Þ 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 di®raction (XRD), TEM and HRTEM. The experimental results revealed that the as-prepared Mn:ZnSe d-dots with zincblende structure have an average size of about 3.9 nm.

Design and fabrication of CuInS2/ZnS-based QLED for automotive lighting systems

“…Over last few years a diversity of Cd-free QDs have been synthesized from materials including indium phosphide (InP), 4,6,7 copper indium sulfide (CuInS 2 ), [8][9][10][11][12][13][14][15] silver indium sulfide (AgInS 2 ), [16][17][18][19][20] ZAISe (Zn-Ag-In-Se), 21 doped Zn chalcogenides, 22,23 graphene, 24 silicon, 25 indium arsenide (InAs), [26][27][28][29] Zinc selenide (ZnSe) 30 and Gallium arsenide (GaAs). 31 Therefore analyzing the materials before, which offer the possibility to be used as the active layer of the QLED, and focusing on emission wavelength and quantum yield (QY) as main parameters to determine the efficiency of the QDs used, it is possible to imagine the best scenario relating to the material selection for lighting systems.…”

“…Over last few years a diversity of Cd-free QDs have been synthesized from materials including indium phosphide (InP) [4,6,7], copper indium sulfide (CuInS 2 ) [8][9][10][11][12][13][14][15], silver indium sulfide (AgInS 2 ) [16][17][18][19][20], ZAISe (Zn-Ag-In-Se) [21], doped Zn chalcogenides [22,23], graphene [24], silicon [25], indium arsenide (InAs) [26][27][28][29], zinc selenide (ZnSe) [30] and gallium arsenide (GaAs) [31].…”