Franco LR - Search Results

1

Unveiling the impact of exchange-correlation functionals on the description of key electronic properties of non-fullerene acceptors in organic photovoltaics.

Franco LR, Marchiori C, Araujo CM. Franco LR, et al. J Chem Phys. 2023 Nov 28;159(20):204110. doi: 10.1063/5.0163180. J Chem Phys. 2023. PMID: 38018752

2

X-ray Photoelectron Fingerprints of High-Valence Ruthenium-Oxo Complexes along the Oxidation Reaction Pathway in an Aqueous Environment.

Silva JL, Unger I, Matias TA, Franco LR, Damas G, Costa LT, Toledo KCF, Rocha TCR, de Brito AN, Saak CM, Coutinho K, Araki K, Björneholm O, Brena B, Araujo CM. Silva JL, et al. Among authors: franco lr. J Phys Chem Lett. 2019 Dec 19;10(24):7636-7643. doi: 10.1021/acs.jpclett.9b02756. Epub 2019 Nov 27. J Phys Chem Lett. 2019. PMID: 31747290

3

Unraveling the acid-base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand.

Franco LR, Toledo KCF, Matias TA, Benavides PA, Cezar HM, Araujo CM, Coutinho K, Araki K. Franco LR, et al. Phys Chem Chem Phys. 2022 May 4;24(17):10222-10240. doi: 10.1039/d1cp03912a. Phys Chem Chem Phys. 2022. PMID: 35420602

4

Effects of Flexible Conjugation-Break Spacers of Non-Conjugated Polymer Acceptors on Photovoltaic and Mechanical Properties of All-Polymer Solar Cells.

Chen Q, Han YH, Franco LR, Marchiori CFN, Genene Z, Araujo CM, Lee JW, Phan TN, Wu J, Yu D, Kim DJ, Kim TS, Hou L, Kim BJ, Wang E. Chen Q, et al. Among authors: franco lr. Nanomicro Lett. 2022 Aug 13;14(1):164. doi: 10.1007/s40820-022-00884-8. Nanomicro Lett. 2022. PMID: 35962874 Free PMC article.

5

Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach.

Ramos TN, Franco LR, Silva DL, Canuto S. Ramos TN, et al. Among authors: franco lr. J Chem Phys. 2023 Jul 14;159(2):024309. doi: 10.1063/5.0152308. J Chem Phys. 2023. PMID: 37439475

6

Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities.

Franco LR, Fonseca TL, Coutinho K, Georg HC. Franco LR, et al. J Chem Phys. 2023 Aug 21;159(7):074303. doi: 10.1063/5.0158994. J Chem Phys. 2023. PMID: 37594066

7

Theoretical investigation of solvent and oxidation/deprotonation effects on the electronic structure of a mononuclear Ru-aqua-polypyridine complex in aqueous solution.

Franco LR, Toledo KCF, Matias TA, Araujo CM, Araki K, Coutinho K. Franco LR, et al. Phys Chem Chem Phys. 2023 Sep 20;25(36):24475-24494. doi: 10.1039/d3cp02154h. Phys Chem Chem Phys. 2023. PMID: 37655780

8

Aqueous Processed All-Polymer Solar Cells with High Open-Circuit Voltage Based on Low-Cost Thiophene-Quinoxaline Polymers.

Filate TT, Lee S, Franco LR, Chen Q, Genene Z, Marchiori CFN, Lee Y, Araujo M, Mammo W, Woo HY, Kim BJ, Wang E. Filate TT, et al. Among authors: franco lr. ACS Appl Mater Interfaces. 2024 Mar 13;16(10):12886-12896. doi: 10.1021/acsami.3c18994. Epub 2024 Feb 29. ACS Appl Mater Interfaces. 2024. PMID: 38425182 Free PMC article.

9

Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution.

Brandão I, Fonseca TL, Franco LR, Georg HC, Castro MA. Brandão I, et al. Among authors: franco lr. J Chem Phys. 2021 Mar 7;154(9):094501. doi: 10.1063/5.0033134. J Chem Phys. 2021. PMID: 33685136

10

Confirming the relationship between first hyperpolarizability and the bond length alternation coordinate for merocyanine dyes.

Brandão I, Franco LR, Fonseca TL, Castro MA, Georg HC. Brandão I, et al. Among authors: franco lr. J Chem Phys. 2017 Jun 14;146(22):224505. doi: 10.1063/1.4985672. J Chem Phys. 2017. PMID: 29166085

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