Da Silva JLF - Search Results

1

Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures.

B P Querne M, C Dias A, Janotti A, Da Silva JLF, Lima MP. B P Querne M, et al. Among authors: da silva jlf. J Phys Chem C Nanomater Interfaces. 2024 Jul 12;128(29):12164-12177. doi: 10.1021/acs.jpcc.4c01813. eCollection 2024 Jul 25. J Phys Chem C Nanomater Interfaces. 2024. PMID: 39081561 Free PMC article.

2

The role of charge states in the atomic structure of Cu(n) and Pt(n) (n = 2-14 atoms) clusters: a DFT investigation.

Chaves AS, Rondina GG, Piotrowski MJ, Tereshchuk P, Da Silva JL. Chaves AS, et al. J Phys Chem A. 2014 Nov 13;118(45):10813-21. doi: 10.1021/jp508220h. Epub 2014 Oct 29. J Phys Chem A. 2014. PMID: 25329243

3

Tuning the Magnetic Properties of FeCo Thin Films through the Magnetoelastic Effect Induced by the Au Underlayer Thickness.

Cabral L, Aragón FH, Villegas-Lelovsky L, Lima MP, Macedo WAA, Da Silva JLF. Cabral L, et al. Among authors: da silva jlf. ACS Appl Mater Interfaces. 2019 Jan 9;11(1):1529-1537. doi: 10.1021/acsami.8b14736. Epub 2018 Dec 28. ACS Appl Mater Interfaces. 2019. PMID: 30525366

4

Edge, size, and shape effects on WS₂, WSe₂, and WTe₂ nanoflake stability: design principles from an ab initio investigation.

Da Silva ACH , Caturello NAMS , Besse R , Lima MP , Da Silva JLF . Da Silva ACH , et al. Among authors: da silva jlf. Phys Chem Chem Phys. 2019 Oct 24;21(41):23076-23084. doi: 10.1039/c9cp03698a. Phys Chem Chem Phys. 2019. PMID: 31595273

5

Ab initio investigation of topological phase transitions induced by pressure in trilayer van der Waals structures: the example of h-BN/SnTe/h-BN.

Lima MP, Besse R, Da Silva JLF. Lima MP, et al. Among authors: da silva jlf. J Phys Condens Matter. 2021 Jan 13;33(2):025003. doi: 10.1088/1361-648X/abac8d. J Phys Condens Matter. 2021. PMID: 32756023

6

Ab Initio Study of CO₂ Activation on Pristine and Fe-Decorated WS₂ Nanoflakes.

Fonseca HAB, Verga LG, Da Silva JLF. Fonseca HAB, et al. Among authors: da silva jlf. J Phys Chem A. 2021 Sep 16;125(36):7769-7777. doi: 10.1021/acs.jpca.1c04436. Epub 2021 Sep 2. J Phys Chem A. 2021. PMID: 34472858

7

Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights.

González JE, Besse R, Lima MP, Da Silva JLF. González JE, et al. Among authors: da silva jlf. J Chem Inf Model. 2024 Feb 26;64(4):1306-1318. doi: 10.1021/acs.jcim.3c01895. Epub 2024 Feb 12. J Chem Inf Model. 2024. PMID: 38347752

8

Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX₃ and 2D (BA)₂(MA)B₂X₇ (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites.

Danelon JG, Santos RM, Dias AC, Da Silva JLF, Lima MP. Danelon JG, et al. Among authors: da silva jlf. Phys Chem Chem Phys. 2024 Mar 6;26(10):8469-8487. doi: 10.1039/d3cp04361d. Phys Chem Chem Phys. 2024. PMID: 38410922

9

Elucidating Black α-CsPbI₃ Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations.

González JE, Danelon JG, Da Silva JLF, Lima MP. González JE, et al. Among authors: da silva jlf. ACS Appl Mater Interfaces. 2024 Jul 31;16(30):39251-39265. doi: 10.1021/acsami.4c05092. Epub 2024 Jul 18. ACS Appl Mater Interfaces. 2024. PMID: 39021197 Free PMC article.

10

Theoretical Investigation of the Adsorption Properties of CO, NO, and OH on Monometallic and Bimetallic 13-Atom Clusters: The Example of Cu13, Pt7Cu6, and Pt13.

Chaves AS, Piotrowski MJ, Guedes-Sobrinho D, Da Silva JL. Chaves AS, et al. J Phys Chem A. 2015 Nov 25;119(47):11565-73. doi: 10.1021/acs.jpca.5b08330. Epub 2015 Nov 11. J Phys Chem A. 2015. PMID: 26524466

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