2012
DOI: 10.1007/s10854-012-0622-z
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Optical properties of Cu-doped ZnO nanoparticles experimental and first-principles theory research

Abstract: Zn 1-x Cu x O nanoparticles were synthesized by using sol-gel method. Structure and optical properties of Zn 1-x Cu x O nanoparticles were studied experimentally and theoretically. The simulations are based upon the PerdewBurke-Ernzerhof form of generalized gradient approximation within the density functional theory. The results showed that the UV emission is effectively quenched and the emission in visible-light region is enhanced by Cudoping, which are theoretically explained to be attributed to the electron… Show more

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Cited by 21 publications
(7 citation statements)
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“…This modification was attributed to the induction of localized Cu 3d states in ZnO band gap [114]. The intra-band transition between Cu 3d and Zn 4s in the conduction band causes visible-light absorption in Cu-doped ZnO [115]. Substitution of Cu 2+ on the Zn 2+ sites was confirmed by the shrinkage of ZnO crystal lattice that caused the broadening and shifting of the XRD patterns toward larger 2θ [17].…”
Section: Cu-doped Znomentioning
confidence: 98%
“…This modification was attributed to the induction of localized Cu 3d states in ZnO band gap [114]. The intra-band transition between Cu 3d and Zn 4s in the conduction band causes visible-light absorption in Cu-doped ZnO [115]. Substitution of Cu 2+ on the Zn 2+ sites was confirmed by the shrinkage of ZnO crystal lattice that caused the broadening and shifting of the XRD patterns toward larger 2θ [17].…”
Section: Cu-doped Znomentioning
confidence: 98%
“…Formula of Cu‐doped ZnO can be expressed as Zn 1‐× Cu × O. The range of × value can be 0 ∼ 0.1, based on the theoretical calculations and experiment results . Based on the data in Table , the × value is about 0.04 for Cu‐doped ZnO in figure .…”
Section: Resultsmentioning
confidence: 98%
“…Substitution of copper into the ZnO lattice has shown to improve properties such as photocatalytic activity, gas sensitivity and magnetic semiconductivity . Up to now, Cu‐doped ZnO systems have been prepared using various synthetic approaches, such as magnetron sputtering , pulsed laser deposition , ion beam technique , sol−gel method , and chemical vapor deposition . Most of the investigations of Cu‐doped ZnO system have been focused on bulk materials or thin films, whereas only a few reports on nanostructures, such as nanoparticles , nanowires , nanorods have been published to date.…”
Section: Introductionmentioning
confidence: 99%
“…5, inset), 3.22 eV to 10 % and, 2.77 eV to 20 %. Therefore, the dopant increase in the zinc oxide structure decreases the band gap energy thereof, due to the lower band gap energy of cobalt oxide (1.4-1.8 eV) in the region of visible light [36,37].…”
Section: Photocatalysismentioning
confidence: 99%