Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent

Natalia g. Sousa; Renato v. De oliveira; Ana aline c. Alcanfor; Filipe x. Feitosa; Hosiberto b. De sant'ana; Walther Schwarzacher; Pedro De lima-Neto; Norberto k.v. Monteiro; Adriana n. Correia

doi:10.1016/j.molliq.2023.122973

Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent

Natalia g. Sousa, Renato v. De oliveira, Ana aline c. Alcanfor, Filipe x. Feitosa, Hosiberto b. De sant'ana, Walther Schwarzacher, Pedro De lima-Neto, Norberto k.v. Monteiro, Adriana n. Correia

School of Physics

Research output: Contribution to journal › Article (Academic Journal) › peer-review

3 Citations (Scopus)

Abstract

The objective of this work was to electrodeposit Sn-In coatings using a deep eutectic solvent consisting of choline chloride (ChCl), and ethylene glycol (EG) in the ratio 1:2 and to characterize the electrolytes employed, both experimentally and theoretically. Solutions containing 0.025 mol/L SnCl2 and/or 0.025 mol/L InCl3 in 1ChCl:2EG were studied by cyclic voltammetry and chronoamperometry. The diffusion coefficients of the metal ions were measured at temperatures between 297 and 343 K, with the values for Sn2+ being between 3.5 × 10−7 and 5.4 × 10−7 cm2 s−1 and between 0.90 × 10−7 and 1.46 × 10−7 cm2 s−1 for In3+. The morphology and chemical composition of Sn, In and Sn-In electrodeposits were characterized by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS), the latter showing that Sn as the more noble metal was deposited preferentially. X-ray diffraction (XRD) showed the presence of an InSn4 intermetallic phase. Furthermore, to understand better the species present in the solution, the behaviour of Sn2+ and In3+ ions was theoretically analysed through computational simulations involving molecular dynamics, density functional theory and quantum theory of atoms in molecules at four different temperatures. The results indicated that both ions (Sn2+ and In3+) interacted more strongly with the Cl− ion (In-Cl and Sn-Cl) than with ethylene glycol (In-(O1, O2) and Sn-(O1, O2) and showed no interaction with choline (In-O3 and Sn-O3).

Original language	English
Article number	122973
Number of pages	11
Journal	Journal of Molecular Liquids
Volume	390
Early online date	1 Sept 2023
DOIs	https://doi.org/10.1016/j.molliq.2023.122973
Publication status	Published - 15 Nov 2023

Bibliographical note

Funding Information:
This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) – Finance Code 001. The authors thank the financial support given by the following Brazilian funding agencies: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológica (FUNCAP). N. G. Sousa thanks the financial support received from CNPq (proc. 141171/2021-9). A.N. Correia gratefully acknowledges funding provided by CNPq (proc. 405596/2018-9 and 305136/2018-6). P. de Lima-Neto thanks the financial support received from CNPq (proc. 408626/2018-6 and 304152/2018-8). A. A. C. Alcanfor and R. V. de Oliveira thank CNPq and CAPES for their grants. The authors would like to thank the Central Analítica-UFC/CT-INFRA/MCTI-SISANO/Pró-Equipamentos CAPES for the support. The authors also thanks Centro Nacional de Processamento de Alto Desempenho (CENAPAD) of the Federal University of Ceará (UFC) for providing computational resources.

Funding Information:
This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) – Finance Code 001. The authors thank the financial support given by the following Brazilian funding agencies: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológica (FUNCAP). N. G. Sousa thanks the financial support received from CNPq (proc. 141171/2021-9). A.N. Correia gratefully acknowledges funding provided by CNPq (proc. 405596/2018-9 and 305136/2018-6). P. de Lima-Neto thanks the financial support received from CNPq (proc. 408626/2018-6 and 304152/2018-8). A. A. C. Alcanfor and R. V. de Oliveira thank CNPq and CAPES for their grants. The authors would like to thank the Central Analítica-UFC/CT-INFRA/MCTI-SISANO/Pró-Equipamentos CAPES for the support. The authors also thanks Centro Nacional de Processamento de Alto Desempenho (CENAPAD) of the Federal University of Ceará (UFC) for providing computational resources.

Publisher Copyright:
© 2023 Elsevier B.V.

Access to Document

10.1016/j.molliq.2023.122973Licence: Unspecified

https://linkinghub.elsevier.com/retrieve/pii/S0167732223017798

Handle.net

Persistent link

3 Citations
1 Article (Academic Journal)

Electrochemical and theoretical investigation on the behavior of the Co²⁺ ion in three eutectic solvents
Bezerra, L. L., Oliveira, F. G. S., dos Santos, L. P. M., de Sant'Ana, H. B., Feitosa, F. X., Correia, A. N., Schwarzacher, W., Marinho, E. S., de Lima-Neto, P. & Monteiro, N. D. K. V., 1 May 2022, In: Journal of Molecular Graphics and Modelling. 112, 108137.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
7 Citations (Scopus)

Cite this

Sousa, N. G., De oliveira, R. V., Alcanfor, A. A. C., Feitosa, F. X., De sant'ana, H. B., Schwarzacher, W., De lima-Neto, P., Monteiro, N. K. V., & Correia, A. N. (2023). Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent. Journal of Molecular Liquids, 390, Article 122973. https://doi.org/10.1016/j.molliq.2023.122973

@article{30d52dac22cf4e79a07e08ba1c0fec26,

title = "Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent",

abstract = "The objective of this work was to electrodeposit Sn-In coatings using a deep eutectic solvent consisting of choline chloride (ChCl), and ethylene glycol (EG) in the ratio 1:2 and to characterize the electrolytes employed, both experimentally and theoretically. Solutions containing 0.025 mol/L SnCl2 and/or 0.025 mol/L InCl3 in 1ChCl:2EG were studied by cyclic voltammetry and chronoamperometry. The diffusion coefficients of the metal ions were measured at temperatures between 297 and 343 K, with the values for Sn2+ being between 3.5 × 10−7 and 5.4 × 10−7 cm2 s−1 and between 0.90 × 10−7 and 1.46 × 10−7 cm2 s−1 for In3+. The morphology and chemical composition of Sn, In and Sn-In electrodeposits were characterized by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS), the latter showing that Sn as the more noble metal was deposited preferentially. X-ray diffraction (XRD) showed the presence of an InSn4 intermetallic phase. Furthermore, to understand better the species present in the solution, the behaviour of Sn2+ and In3+ ions was theoretically analysed through computational simulations involving molecular dynamics, density functional theory and quantum theory of atoms in molecules at four different temperatures. The results indicated that both ions (Sn2+ and In3+) interacted more strongly with the Cl− ion (In-Cl and Sn-Cl) than with ethylene glycol (In-(O1, O2) and Sn-(O1, O2) and showed no interaction with choline (In-O3 and Sn-O3).",

author = "Sousa, {Natalia g.} and {De oliveira}, {Renato v.} and Alcanfor, {Ana aline c.} and Feitosa, {Filipe x.} and {De sant'ana}, {Hosiberto b.} and Walther Schwarzacher and {De lima-Neto}, Pedro and Monteiro, {Norberto k.v.} and Correia, {Adriana n.}",

note = "Funding Information: This study was financed in part by the Coordena{\c c}{\~a}o de Aperfei{\c c}oamento de Pessoal de N{\'i}vel Superior - Brasil (CAPES) – Finance Code 001. The authors thank the financial support given by the following Brazilian funding agencies: Coordena{\c c}{\~a}o de Aperfei{\c c}oamento de Pessoal de N{\'i}vel Superior (CAPES), Conselho Nacional de Desenvolvimento Cient{\'i}fico e Tecnol{\'o}gico (CNPq) and Funda{\c c}{\~a}o Cearense de Apoio ao Desenvolvimento Cient{\'i}fico e Tecnol{\'o}gica (FUNCAP). N. G. Sousa thanks the financial support received from CNPq (proc. 141171/2021-9). A.N. Correia gratefully acknowledges funding provided by CNPq (proc. 405596/2018-9 and 305136/2018-6). P. de Lima-Neto thanks the financial support received from CNPq (proc. 408626/2018-6 and 304152/2018-8). A. A. C. Alcanfor and R. V. de Oliveira thank CNPq and CAPES for their grants. The authors would like to thank the Central Anal{\'i}tica-UFC/CT-INFRA/MCTI-SISANO/Pr{\'o}-Equipamentos CAPES for the support. The authors also thanks Centro Nacional de Processamento de Alto Desempenho (CENAPAD) of the Federal University of Cear{\'a} (UFC) for providing computational resources. Funding Information: This study was financed in part by the Coordena{\c c}{\~a}o de Aperfei{\c c}oamento de Pessoal de N{\'i}vel Superior - Brasil (CAPES) – Finance Code 001. The authors thank the financial support given by the following Brazilian funding agencies: Coordena{\c c}{\~a}o de Aperfei{\c c}oamento de Pessoal de N{\'i}vel Superior (CAPES), Conselho Nacional de Desenvolvimento Cient{\'i}fico e Tecnol{\'o}gico (CNPq) and Funda{\c c}{\~a}o Cearense de Apoio ao Desenvolvimento Cient{\'i}fico e Tecnol{\'o}gica (FUNCAP). N. G. Sousa thanks the financial support received from CNPq (proc. 141171/2021-9). A.N. Correia gratefully acknowledges funding provided by CNPq (proc. 405596/2018-9 and 305136/2018-6). P. de Lima-Neto thanks the financial support received from CNPq (proc. 408626/2018-6 and 304152/2018-8). A. A. C. Alcanfor and R. V. de Oliveira thank CNPq and CAPES for their grants. The authors would like to thank the Central Anal{\'i}tica-UFC/CT-INFRA/MCTI-SISANO/Pr{\'o}-Equipamentos CAPES for the support. The authors also thanks Centro Nacional de Processamento de Alto Desempenho (CENAPAD) of the Federal University of Cear{\'a} (UFC) for providing computational resources. Publisher Copyright: {\textcopyright} 2023 Elsevier B.V.",

year = "2023",

month = nov,

day = "15",

doi = "10.1016/j.molliq.2023.122973",

language = "English",

volume = "390",

journal = "Journal of Molecular Liquids",

issn = "0167-7322",

publisher = "Amsterdam:Elsevier",

}

TY - JOUR

T1 - Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent

AU - Sousa, Natalia g.

AU - De oliveira, Renato v.

AU - Alcanfor, Ana aline c.

AU - Feitosa, Filipe x.

AU - De sant'ana, Hosiberto b.

AU - Schwarzacher, Walther

AU - De lima-Neto, Pedro

AU - Monteiro, Norberto k.v.

AU - Correia, Adriana n.

N1 - Funding Information: This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) – Finance Code 001. The authors thank the financial support given by the following Brazilian funding agencies: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológica (FUNCAP). N. G. Sousa thanks the financial support received from CNPq (proc. 141171/2021-9). A.N. Correia gratefully acknowledges funding provided by CNPq (proc. 405596/2018-9 and 305136/2018-6). P. de Lima-Neto thanks the financial support received from CNPq (proc. 408626/2018-6 and 304152/2018-8). A. A. C. Alcanfor and R. V. de Oliveira thank CNPq and CAPES for their grants. The authors would like to thank the Central Analítica-UFC/CT-INFRA/MCTI-SISANO/Pró-Equipamentos CAPES for the support. The authors also thanks Centro Nacional de Processamento de Alto Desempenho (CENAPAD) of the Federal University of Ceará (UFC) for providing computational resources. Funding Information: This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - Brasil (CAPES) – Finance Code 001. The authors thank the financial support given by the following Brazilian funding agencies: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES), Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and Fundação Cearense de Apoio ao Desenvolvimento Científico e Tecnológica (FUNCAP). N. G. Sousa thanks the financial support received from CNPq (proc. 141171/2021-9). A.N. Correia gratefully acknowledges funding provided by CNPq (proc. 405596/2018-9 and 305136/2018-6). P. de Lima-Neto thanks the financial support received from CNPq (proc. 408626/2018-6 and 304152/2018-8). A. A. C. Alcanfor and R. V. de Oliveira thank CNPq and CAPES for their grants. The authors would like to thank the Central Analítica-UFC/CT-INFRA/MCTI-SISANO/Pró-Equipamentos CAPES for the support. The authors also thanks Centro Nacional de Processamento de Alto Desempenho (CENAPAD) of the Federal University of Ceará (UFC) for providing computational resources. Publisher Copyright: © 2023 Elsevier B.V.

PY - 2023/11/15

Y1 - 2023/11/15

N2 - The objective of this work was to electrodeposit Sn-In coatings using a deep eutectic solvent consisting of choline chloride (ChCl), and ethylene glycol (EG) in the ratio 1:2 and to characterize the electrolytes employed, both experimentally and theoretically. Solutions containing 0.025 mol/L SnCl2 and/or 0.025 mol/L InCl3 in 1ChCl:2EG were studied by cyclic voltammetry and chronoamperometry. The diffusion coefficients of the metal ions were measured at temperatures between 297 and 343 K, with the values for Sn2+ being between 3.5 × 10−7 and 5.4 × 10−7 cm2 s−1 and between 0.90 × 10−7 and 1.46 × 10−7 cm2 s−1 for In3+. The morphology and chemical composition of Sn, In and Sn-In electrodeposits were characterized by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS), the latter showing that Sn as the more noble metal was deposited preferentially. X-ray diffraction (XRD) showed the presence of an InSn4 intermetallic phase. Furthermore, to understand better the species present in the solution, the behaviour of Sn2+ and In3+ ions was theoretically analysed through computational simulations involving molecular dynamics, density functional theory and quantum theory of atoms in molecules at four different temperatures. The results indicated that both ions (Sn2+ and In3+) interacted more strongly with the Cl− ion (In-Cl and Sn-Cl) than with ethylene glycol (In-(O1, O2) and Sn-(O1, O2) and showed no interaction with choline (In-O3 and Sn-O3).

AB - The objective of this work was to electrodeposit Sn-In coatings using a deep eutectic solvent consisting of choline chloride (ChCl), and ethylene glycol (EG) in the ratio 1:2 and to characterize the electrolytes employed, both experimentally and theoretically. Solutions containing 0.025 mol/L SnCl2 and/or 0.025 mol/L InCl3 in 1ChCl:2EG were studied by cyclic voltammetry and chronoamperometry. The diffusion coefficients of the metal ions were measured at temperatures between 297 and 343 K, with the values for Sn2+ being between 3.5 × 10−7 and 5.4 × 10−7 cm2 s−1 and between 0.90 × 10−7 and 1.46 × 10−7 cm2 s−1 for In3+. The morphology and chemical composition of Sn, In and Sn-In electrodeposits were characterized by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS), the latter showing that Sn as the more noble metal was deposited preferentially. X-ray diffraction (XRD) showed the presence of an InSn4 intermetallic phase. Furthermore, to understand better the species present in the solution, the behaviour of Sn2+ and In3+ ions was theoretically analysed through computational simulations involving molecular dynamics, density functional theory and quantum theory of atoms in molecules at four different temperatures. The results indicated that both ions (Sn2+ and In3+) interacted more strongly with the Cl− ion (In-Cl and Sn-Cl) than with ethylene glycol (In-(O1, O2) and Sn-(O1, O2) and showed no interaction with choline (In-O3 and Sn-O3).

U2 - 10.1016/j.molliq.2023.122973

DO - 10.1016/j.molliq.2023.122973

M3 - Article (Academic Journal)

SN - 0167-7322

VL - 390

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

M1 - 122973

ER -

Modelling approach applied to SnIn coatings from choline chloride/ethylene glycol deep eutectic solvent

Abstract

Bibliographical note

Access to Document

Handle.net

Fingerprint

Research output

Electrochemical and theoretical investigation on the behavior of the Co2+ ion in three eutectic solvents

Cite this

Electrochemical and theoretical investigation on the behavior of the Co²⁺ ion in three eutectic solvents