Výsledky vyhledávání - "Lívia C. T. Lacerda"

Bulk and surface theoretical investigation of Nb-doped δ-FeOOH as a promising bifunctional catalyst

Autor: Igor S.S. de Oliveira, Silviana Corrêa, Lívia C. T. Lacerda, Maíra dos Santos Pires, Telles Cardoso Silva, Alexandre A. de Castro, Teodorico C. Ramalho, Viviane S. Vaiss

Publikováno v: Journal of Molecular Modeling. 27

The development of bifunctional catalysts is of great interest in fine chemistry, since they are capable of promoting multicatalytic reactions involved in several important industrial processes. Iron oxyhydroxides have been identified as low-cost bif

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::267fbc5df88926c1f4a09b3050706488
https://doi.org/10.1007/s00894-021-04864-4

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Zn-doped Nb2O5 photocatalysts driven by visible-light: An experimental and theoretical study

Autor: Maíra dos Santos Pires, Jéssica Ariane de Oliveira, Lívia C. T. Lacerda, Francisco G.E. Nogueira, Mariana De Oliveira Reis, Teodorico C. Ramalho, Caue Ribeiro De Oliveira, Luís A.M. Ruotolo

Publikováno v: Materials Chemistry and Physics. 228:160-167

Zn-doped Nb2O5 are prospective photocatalysts since they can be activated by visible-light. In this context, undoped and Zn-doped Nb2O5 (0.1 and 0.2% mol of Zn) were synthesized by the oxidant peroxide method with crystallization under hydrothermal c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5271b4c008feb8322d60758cfe491846
https://doi.org/10.1016/j.matchemphys.2019.02.062

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Hybrid Materials Based on Magnetic Iron Oxides with Benzothiazole Derivatives: A Plausible Potential Spectroscopy Probe

Autor: Teodorico C. Ramalho, Gustavo A Andolpho, Isael Aparecido Rosa, Francisco G.E. Nogueira, Eugenie Nepovimova, Lívia C. T. Lacerda, Elaine F. F. da Cunha, Silviana Corrêa, Kamil Kuca, Letícia C. Assis, Maíra dos Santos Pires

Publikováno v: International Journal of Molecular Sciences, Vol 22, Iss 3980, p 3980 (2021)
International Journal of Molecular Sciences
Volume 22
Issue 8

Rare diseases affect a small part of the population, and the most affected are children. Because of the low availability of patients for testing, the pharmaceutical industry cannot develop drugs for the diagnosis of many of these orphan diseases. In

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d64d358c43b1a4281056c03e8226685b
https://pubmed.ncbi.nlm.nih.gov/33921510

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Electrocatalytic performance of different cobalt molybdate structures for water oxidation in alkaline media

Autor: Mariandry Rodriguez, Kisla P. F. Siqueira, Matheus C. P. Stolzemburg, Cíntia Grossi de Abreu, Teodorico C. Ramalho, Lívia C. T. Lacerda, Maíra dos Santos Pires, Adilson C. Silva, Carlos Giovani Oliveira Bruziquesi, Márcio C. Pereira, Anderson Dias, Luiz C.A. Oliveira

Publikováno v: CrystEngComm. 20:5592-5601

Cobalt molybdates with different crystalline structures, i.e., α, β, and hydrated (H)-CoMoO4, were synthesized, and their electrocatalytic activities were thoroughly examined for catalyzing the oxygen evolution reaction (OER) in alkaline media. The

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::73a402d9180744deded5e095e177e273
https://doi.org/10.1039/c8ce01073k

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Doping effect of Cu (II) in the adsorption of CrO42- by the Fe3O4 (1 1 1) surface: A theoretical study

Autor: Igor S.S. de Oliveira, Telles Cardoso Silva, Lívia C. T. Lacerda, Teodorico C. Ramalho, Silviana Corrêa, Viviane S. Vaiss, Maíra dos Santos Pires, Alexandre A. de Castro, Francisco G.E. Nogueira

Publikováno v: Chemical Physics Letters. 781:138984

Magnetite (Fe3O4) is considered a promising catalyst for the removal of hexavalent chromium (Cr VI) in wastewater. To optimize its adsorptive capacity, bivalent copper ions (Cu II) were added to the oxide matrix. Structural and electronic properties,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d58f74698c339c8906ec85855d93afe7
https://doi.org/10.1016/j.cplett.2021.138984

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Oxidative dehydration reaction of glycerol into acrylic acid: A first-principles prediction of structural and thermodynamic parameters of a bifunctional catalyst

Autor: Luiz C.A. Oliveira, Teodorico C. Ramalho, Maíra dos Santos Pires, Lívia C. T. Lacerda, Silviana Corrêa

Publikováno v: Chemical Physics Letters. 651:161-167

The production of biodiesel generates crude glycerol as a byproduct. The search for glycerol conversion routes has attracted the attention of researchers and thus, this work evaluated the properties of the catalysts T-Nb 2 O 5 and T-Nb 2 O 5 /V treat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::73d61ec422f886e13f8baa807bc495ff
https://doi.org/10.1016/j.cplett.2016.03.038

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Experimental and theoretical study on the reactivity of maghemite doped with Cu2+ in oxidation reactions: structural and thermodynamic properties towards a Fenton catalyst

Autor: Teodorico C. Ramalho, Juliana Arriel Torres, Márcio C. Pereira, Lívia C. T. Lacerda, Silviana Corrêa, Maíra dos Santos Pires, Francisco G.E. Nogueira

Publikováno v: RSC Advances. 6:80830-80839

In this work, a polymeric method was used to prepare undoped and Cu-doped iron oxide catalysts for the H2O2 decomposition reaction. These catalysts were characterized by powder X-ray diffractometry (XRD), scanning electronic microscopy (SEM) coupled

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::59bf8bf6effa65c0b16d5fcc1c4c4d68
https://doi.org/10.1039/c6ra11032k

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Structure and bonding in NbX5 X = (F, Cl, Br and I) complexes: a molecular orbital perspective in the C–H bond activation

Autor: Telles Cardoso Silva, Maíra dos Santos Pires, Teodorico C. Ramalho, Lívia C. T. Lacerda, Marcus V.J. Rocha, Alexandre A. de Castro

Publikováno v: Theoretical Chemistry Accounts. 137

In the present work, theoretical studies of the reactivity and stability of the NbX5 complexes (X = F, Cl, Br and I) were carried out in the methane C–H bond activation. To study the chemical bonds formation of these complexes, an energy decomposit

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4c0eaae48ad1f3d54d8da532b440dc8e
https://doi.org/10.1007/s00214-018-2348-3

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