Projetos Ativos
Publicações do projeto
| proj756 | Universidade Federal de Sao Paulo | Inst C Ambientais, Quimic e Farmaceutic |
|---|---|---|
| Liquidos ionicos na interface com modelos de eletrodo | ||
| Publicações | Mestrado | Doutorado |
| 22 | 4 | 3 |
| Publicação Energy Storage Materials |
Data, Vol/Fasc/Pag Volume 70, June 2024, 103502 |
| Título Molecular dynamics simulations of ionic liquids confined into MXenes | |
| Autores A M Sampaio, S Bi, M Salanne, L J A Siqueira | |
| Publicação Journal of Molecular Liquids |
Data, Vol/Fasc/Pag Volume 404, 15 June 2024, 124855 |
| Título Atomistic insights into the superior performance of C60-decorated graphene supercapacitors | |
| Autores Isabel Amaral Silva, Eudes Eterno Fileti, Leonardo Jose Amaral Siqueira | |
| Publicação Electrochimica Acta |
Data, Vol/Fasc/Pag Volume 492, 10 July 2024, 144381 |
| Título Enhancing power and energy densities of supercapacitors with slit porous carbon electrodes by playing with pore width and ion shapes | |
| Autores R Guimaraes Pereira, A Massari Sampaio, I Amaral Silva, L Jose Amaral Siqueira | |
| Publicação Journal of Molecular Liquida |
Data, Vol/Fasc/Pag Vol 415, Part B, 1 December 2024, 126431 |
| Título Computational evaluation of phosphonium ILs as CO2 absorbents for electrochemistry | |
| Autores L K Follador, R G Pereira, Primaggio S Mantovi, L J A Siqueira, Roberto M Torresi | |
| Publicação Nano Energy. |
Data, Vol/Fasc/Pag Volume 118, Part A, 15 Dec 2023, 108957 |
| Título Sodium-ion electrolytes based on poly-ethylene oxide oligomers in dual-carbon cells: Anion size drives the charging behavior. | |
| Autores Rodrigo A. Mendes,Luis G. Dias, Juarez L.F. Da Silva, Leonardo J.A. Siqueira. | |
| Publicação Electrochimica Acta. |
Data, Vol/Fasc/Pag Volume 468, 10 November 2023, 143149. |
| Título Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force. | |
| Autores Tuanan C. Lourenco, Leonardo J.A. Siqueira, Luis G. Dias, Juarez L.F. Da Silva. | |
| Publicação Energy Storage Materials. |
Data, Vol/Fasc/Pag Volume 62, September 2023, 102943. |
| Título Combining electrochemical, molecular simul. and operando techniques to investigate the stability of electrodes and organic electrolytes used in EDLCs. | |
| Autores Raissa Venancio et al. | |
| Publicação Carbon. |
Data, Vol/Fasc/Pag Volume 208, May 2023, Pages 102-110. |
| Título Performance of supercapacitors containing graphene oxide and ionic liquids by molecular dynamics simulations. | |
| Autores Guilherme Ferreira Lemos Pereira, Eudes Eterno Fileti, Leonardo Jose Amaral Siqueira. | |
| Publicação Carbon. |
Data, Vol/Fasc/Pag Vol 205, 5 March 2023, Pages 383-393 |
| Título Unveiling the mutual ion-storage mechanism of dual-carbon NaTFSI-WiSE Cells: A molecular dynamics study. | |
| Autores Rodrigo A. Mendes, Luis G. Dias, Juarez L.F.Da Silva, Leonardo J.A. Siqueira. | |
| Publicação Journal of Molecular Liquids |
Data, Vol/Fasc/Pag Vol 366, 15 Nov 2022. 120227. |
| Título Understanding CO2 absorption by an ammonium-based ionic liquid confined in porous carbon material under applied voltage. | |
| Autores Rafael G. Pereira, Victor Oliveira Valente, Rafael Maglia de Souza, Leonardo Jose Amaral Siqueira. | |
| Publicação FlatChem. |
Data, Vol/Fasc/Pag Vol 35, Sep 2022, 100413. |
| Título Adsorption of ionic liquids forming species on Ti3C2Tx MXenes surfaces by first-principle calculation. | |
| Autores Abner M. Sampaio, Julian F.R.V. Silveira, Luis G. Dias, Juarez L.F.Da Silva, Leonardo J.A. Siqueira. | |
| Publicação Colloids and Surfaces B: Biointerfaces. |
Data, Vol/Fasc/Pag Vol 216, Aug 2022, 112546. |
| Título Sakuranetin interacting with cell membranes models: Surface chemistry combined with molecular simulation. | |
| Autores Rafael Guimares Pereira et al. | |
| Publicação Electrochimica Acta. |
Data, Vol/Fasc/Pag Volume 410, 1 April 2022, 139982. |
| Título Energy and power performances of binary mixtures of ionic liquids in planar and porous electrodes by molecular dynamics simulations. | |
| Autores Pedro H.L.Ferreira, Abner M.Sampaio, Leonardo J.A.Siqueira. | |
| Publicação Journal of Molecular Liquids. |
Data, Vol/Fasc/Pag Volume 338, 15 September 2021, 116648. |
| Título Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid. | |
| Autores Rafael Magliade Souza et al. | |
| Publicação Materials Chemistry and Physics. |
Data, Vol/Fasc/Pag Volume 284, 15 May 2022, 126021. |
| Título Poly(p-phenylene vinylene-b-ethylene glycol) dispersed in butyltrimethylammonium bis(trifluoromethanesulfonyl)imide as luminescent ionic liquids. | |
| Autores Beatriz Pesco, Rebeca R. Rodrigues, Leonardo J. A. de Siqueira, Laura O. Peres. | |
| Publicação Electrochimica Acta. |
Data, Vol/Fasc/Pag Volume 364, 20 December 2020, 137181. |
| Título Comparing the performance of sulfonium and phosphonium ionic liquids as electrolytes for supercapacitors by molecular dynamics simulations. | |
| Autores Abner Massari Sampaio, Guilherme F.L. Pereira, Mathieu Salanne, Leonardo Jose Amaral Siqueira. | |
| Publicação The Journal of Physical Chemistry C. |
Data, Vol/Fasc/Pag 2021, 125, 4, 2318-2326. |
| Título Comparing Graphite and Graphene Oxide Supercapacitors with a Constant Potential Model. | |
| Autores Guilherme Ferreira Lemos Pereira, Eudes Eterno Fileti and Leonardo Jose Amaral Siqueira. | |
| Publicação Journal of Molecular Liquids |
Data, Vol/Fasc/Pag Volume 296, 15 December 2019, 112065 |
| Título Atomistic study of the physical properties of sulfonium-based ionic liquids as electrolyte for supercapacitors | |
| Autores Abner Massari Sampaio, Eudes Eterno Fileti, Leonardo J. A. Siqueira | |
| Publicação Journal of Photochemistry and Photobiology A: Chemistry |
Data, Vol/Fasc/Pag v397, 15 June 2020, 112581 |
| Título Solvent effects and energy transfer processes in luminescent composite | |
| Autores MENANDRO, A.S. et al. | |
| Publicação J. Phys. Chem. B |
Data, Vol/Fasc/Pag 07 Jul 2020 Adv Access |
| Título Ether-Functionalized Sulfonium Ionic Liquid and its Binary Mixtures With Acetonitrile as Electrolyte for Electrochemical Double Layer Capacitors | |
| Autores SAMPAIO, A. M. et al. | |
| Publicação J. Chem. Inf. Model. |
Data, Vol/Fasc/Pag 2020, 60, 2, 485-499 |
| Título Mol. Dyn. Simulations of Polymer-Ionic Liquid (1-Ethyl-3-methylimidazolium Tetracyanoborate)Ternary Electrolyte for Sodium and Potassium Ion Batteries | |
| Autores SOUZA R. M. et al. | |
| Publicação The Journal of Physical Chemistry C |
Data, Vol/Fasc/Pag 2019, 123, 17, 10816 |
| Título Molecular Dynamics Simulations of Ether-Modified Phosphonium Ionic Liquid Confined in between Planar and Porous Graphene Electrode Models | |
| Autores Guilherme F. L. Pereira, R. G. Pereira, Mathieu Salanne, Leonardo J.A. Siqueira | |