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

Autor(es)

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]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: JOURNAL OF MATERIALS CHEMISTRY C; v. 2, n. 47, p. 10164-10174, 2014.
• Citações Web of Science: 14

Resumo

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)

• Processo FAPESP: 13/19289-0 - Oxi-redução de gases pelo catalisador TiO2 dopado com átomos de CE: um estudo computacional
• Beneficiário: Julio Ricardo Sambrano
• Modalidade de apoio: Auxílio à Pesquisa - Regular
• Processo FAPESP: 13/07296-2 - CDMF - Centro de Desenvolvimento de Materiais Funcionais
• Beneficiário: Elson Longo da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs