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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

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Author(s):
La Porta, F. A. [1, 2] ; Andres, J. [1] ; Vismara, M. V. G. [3] ; Graeff, C. F. O. [3] ; Sambrano, J. R. [4] ; Li, M. S. [5] ; Varela, J. A. [2] ; Longo, E. [2]
Total Authors: 8
Affiliation:
[1] Univ Jaume 1, Dept Analyt & Phys Chem, Castellon de La Plana 12071 - Spain
[2] UNESP, Inst Quim, BR-14801970 Araraquara, SP - Brazil
[3] UNESP, Dept Fis FC, BR-17033360 Bauru - Brazil
[4] UNESP, Lab Simulacao Mol, BR-17033360 Bauru - Brazil
[5] Univ Sao Paulo, Dept Fis, BR-13560970 Sao Carlos, SP - Brazil
Total Affiliations: 5
Document type: Journal article
Source: JOURNAL OF MATERIALS CHEMISTRY C; v. 2, n. 47, p. 10164-10174, 2014.
Web of Science Citations: 14
Abstract

The correlation between structural and electronic order-disorder effects in understanding the optical properties of flower-like ZnO nanocrystals synthesized by the microwave-assisted hydrothermal method at low temperatures and short times is discussed. Theoretical simulations were performed at the density functional theory level to gain a better understanding of the experimental data from X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), electron paramagnetic resonance (EPR), ultraviolet-visible diffuse reflectance (UV-vis) spectroscopy and photoluminescence (PL) measurement studies at different temperatures. The decrease in band gap values is due to the presence of intermediate states above the conduction band. These discrete levels are formed by structural and electronic disorder of tetrahedral {[}ZnO4] clusters which enhance the electron-hole pair. (AU)

FAPESP's process: 13/19289-0 - Redox reactions of gases by the catalyst TiO2 with Cerium-doped atoms: a computational study
Grantee:Julio Ricardo Sambrano
Support Opportunities: Regular Research Grants
FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
Grantee:Elson Longo da Silva
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC