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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.)

New insights into the nature of the bandgap of CuGeO3 nanofibers: Synthesis, electronic structure, and optical and photocatalytic properties

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Author(s):
Suzuki, V. Y. [1] ; Amorin, L. H. C. [1] ; de Paula, N. H. [1] ; Albuquerque, A. R. [2] ; Li, M. Siu [3] ; Sambrano, J. R. [4] ; Longo, E. [5] ; La Porta, F. A. [1]
Total Authors: 8
Affiliation:
[1] Fed Technol Univ Parana, Lab Nanotechnol & Computat Chem, Ave Pioneiros 3131, BR-86036370 Londrina, Parana - Brazil
[2] Univ Fed Rio Grande do Norte, Inst Chem, UFRN, BR-59078970 Natal, RN - Brazil
[3] Univ Sao Paulo, Sao Carlos Inst Phys, BR-13560970 Sao Carlos, SP - Brazil
[4] Sao Paulo State Univ, INCTMN UNESP, Modeling & Mol Simulat Grp, BR-17033360 Bauru, SP - Brazil
[5] Univ Fed Sao Carlos, INCTMN UFSCar, POB 676, BR-13565905 Sao Carlos, SP - Brazil
Total Affiliations: 5
Document type: Journal article
Source: MATERIALS TODAY COMMUNICATIONS; v. 26, MAR 2021.
Web of Science Citations: 0
Abstract

The influence of the surfactant on the physical properties of CuGeO3 (CGO) nanocrystals synthesized from a microwave-assisted hydrothermal method is discussed by a combination of experimental and theoretical approaches. Our results, however, revealed that the surfactant has a critical role in the stabilization of the desired orthorhombic CGO structure consist of many well-defined long nanofibers with a median diameter and the dispersion size of 9.1 nm and 3.7 nm, respectively. These findings confirm that these samples experimentally have a direct band gap (at about 2.74-2.93 eV) and also that the hybrid Heyd-Scuseria-Ernzerhof (HSE06) is the density functional most recommended for the computational simulations of these systems. All the synthesized materials presented a broad photoluminescence band centered at the blue region, with two characteristic emission peaks, at about 2.55 eV and 2.80 eV, respectively. Our champion catalyst (CGO (40 %)) degrades 50 % of the methylene blue solution for about 60 min. (AU)

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
FAPESP's process: 19/08928-9 - Modeling and simulations of porous inorganic nanotubes functionalization
Grantee:Julio Ricardo Sambrano
Support Opportunities: Regular Research Grants