Título: | MODELLING OF TIO2 PROPERTIES FOR THE BAND GAP PREDICTION USING ARTIFICIAL NEURAL NETWORKS | ||||||||||||
Autor: |
ANNITA DA COSTA FIDALGO |
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Colaborador(es): |
BRUNNO FERREIRA DOS SANTOS - Orientador SONIA LETICHEVSKY - Coorientador |
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Catalogação: | 28/DEZ/2020 | Língua(s): | ENGLISH - UNITED STATES |
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Tipo: | TEXT | Subtipo: | THESIS | ||||||||||
Notas: |
[pt] Todos os dados constantes dos documentos são de inteira responsabilidade de seus autores. Os dados utilizados nas descrições dos documentos estão em conformidade com os sistemas da administração da PUC-Rio. [en] All data contained in the documents are the sole responsibility of the authors. The data used in the descriptions of the documents are in conformity with the systems of the administration of PUC-Rio. |
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Referência(s): |
[pt] https://www.maxwell.vrac.puc-rio.br/projetosEspeciais/ETDs/consultas/conteudo.php?strSecao=resultado&nrSeq=51016&idi=1 [en] https://www.maxwell.vrac.puc-rio.br/projetosEspeciais/ETDs/consultas/conteudo.php?strSecao=resultado&nrSeq=51016&idi=2 |
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DOI: | https://doi.org/10.17771/PUCRio.acad.51016 | ||||||||||||
Resumo: | |||||||||||||
Titanium dioxide has been widely applied by industry and scientific research
as a photocatalyst,whose main drawback still has been the application under visible light.Properties such as phases amount,crystallite size, specific
surface area, pore volume, and band gap value (Eg)have been explored by
synthesis methods to improve TiO2 s performance. However, they are empirically adjusted.The present work was carried out to describe an analytical
relation between those properties for photocatalysis, using Artificial Neural Networks (ANNs) as a statistical tool. Aiming the most representative
set, 53 literature papers were used for the database. Eg was considered the
measurement which evaluates the photocatalytic performance, namely the
network s out put variable. Two blocks A and B, which are distinguished by
input variables, were arranged into groups to investigate the variables pair
influences, using 257 and 220 photocatalysts vectors for each,respectively.
Modelling attempts examined different training algorithms(based on Back-
propagation), types of networks (Feedforward, Cascade forward and Elman),
transfer functions, number of hidden neurons, and multilayer network.The
developedmodelswereevaluatedbythesumofsquarederror(SSE),the
correlation coefficient(R2) of regression for both training and test data,
the prediction behaviour of the dataset,and the regression diagram of predicted and observed values. The block A results suggest the variables do
not have an apparent relationship. Multilayers models on block B revealed an increase of network identification performance. The result with the
highest coefficient showed 4-4-6-1 topology; corresponding, respectively, to
input, first hidden, second hidden and output layers.It had R2 of 84 percent for
training and to 50 percent fortest, with SSE of 2.24.This result suggests this
network is not able topredict the Eg, but it can be improved. The structural
properties should be reviewed, according to standards of characterization
and statistical data. Hence, the model could be well fitted, optimized, and
used for photocatalysis improvement.
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