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Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation.
J Comput Chem. 2023 Apr 15;44(10):1040-1051. doi: 10.1002/jcc.27063. Epub 2022 Dec 28.
J Comput Chem. 2023.
PMID: 36576316
Bulk Rashba Effect Splitting and Suppression in Polymorphs of Metal Iodine Perovskites.
Octavio de Araujo L, Sabino FP, Rêgo CRC, Guedes-Sobrinho D.
Octavio de Araujo L, et al. Among authors: rego crc.
J Phys Chem Lett. 2021 Aug 5;12(30):7245-7251. doi: 10.1021/acs.jpclett.1c02048. Epub 2021 Jul 27.
J Phys Chem Lett. 2021.
PMID: 34313438
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How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites.
de Araujo LO, Rêgo CRC, Wenzel W, Silveira DN, Piotrowski MJ, Sabino FP, Pramudya Y, Guedes-Sobrinho D.
de Araujo LO, et al. Among authors: rego crc.
J Comput Chem. 2023 May 30;44(14):1395-1403. doi: 10.1002/jcc.27094. Epub 2023 Feb 21.
J Comput Chem. 2023.
PMID: 36805580
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Revealing the impact of organic spacers and cavity cations on quasi-2D perovskites via computational simulations.
Guedes-Sobrinho D, Neves Silveira D, de Araujo LO, Favotto Dalmedico J, Wenzel W, Pramudya Y, Piotrowski MJ, Rêgo CRC.
Guedes-Sobrinho D, et al. Among authors: rego crc.
Sci Rep. 2023 Mar 17;13(1):4446. doi: 10.1038/s41598-023-31220-8.
Sci Rep. 2023.
PMID: 36932128
Free PMC article.
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Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties.
Pecinatto H, Rêgo CRC, Wenzel W, Frota CA, Perrone BMS, Piotrowski MJ, Guedes-Sobrinho D, Dias AC, Mota C, Gusmão MSS, Frota HO.
Pecinatto H, et al. Among authors: rego crc.
Sci Rep. 2023 Oct 11;13(1):17157. doi: 10.1038/s41598-023-44424-9.
Sci Rep. 2023.
PMID: 37821570
Free PMC article.
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Promising TMDC-like optical and excitonic properties of the TiBr2 2H monolayer.
Batista ALO, Palheta JMT, Piotrowski MJ, Rêgo CRC, Guedes-Sobrinho D, Dias AC.
Batista ALO, et al. Among authors: rego crc.
Dalton Trans. 2024 Jan 2;53(2):746-752. doi: 10.1039/d3dt03133k.
Dalton Trans. 2024.
PMID: 38086661
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Comparative study of van der Waals corrections to the bulk properties of graphite.
Rêgo CR, Oliveira LN, Tereshchuk P, Da Silva JL.
Rêgo CR, et al.
J Phys Condens Matter. 2015 Oct 21;27(41):415502. doi: 10.1088/0953-8984/27/41/415502. Epub 2015 Sep 29.
J Phys Condens Matter. 2015.
PMID: 26417925
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