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Proposing TODD-graphene as a novel porous 2D carbon allotrope designed for superior lithium-ion battery efficiency.
Sci Rep. 2024 Mar 14;14(1):6202. doi: 10.1038/s41598-024-56312-x.
Sci Rep. 2024.
PMID: 38485984
Free PMC article.
On the structural, electronic, and optical properties of L-histidine crystal: a DFT study.
Pereira FAR, Macedo-Filho A, Silva AM, Frazão NF, Sarmento RG, Lima KAL, Melo JJS, Pereira Junior ML, Ribeiro Junior LA, Freire VN.
Pereira FAR, et al. Among authors: lima kal.
J Mol Model. 2023 Jun 9;29(7):205. doi: 10.1007/s00894-023-05580-x.
J Mol Model. 2023.
PMID: 37294345
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PHOTH-graphene: a new 2D carbon allotrope with low barriers for Li-ion mobility.
Santos EAJ, Lima KAL, Mendonça FLL, Silva DAD, Giozza WF, Junior LAR.
Santos EAJ, et al. Among authors: lima kal.
Sci Rep. 2024 Apr 25;14(1):9526. doi: 10.1038/s41598-024-59858-y.
Sci Rep. 2024.
PMID: 38664467
Free PMC article.
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Formation and stability of nanoscrolls composed of graphene and hexagonal boron nitride nanoribbons: insights from molecular dynamics simulations.
Lima KAL, Ribeiro Júnior LA.
Lima KAL, et al.
J Mol Model. 2023 Oct 14;29(11):339. doi: 10.1007/s00894-023-05702-5.
J Mol Model. 2023.
PMID: 37837452
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Adsorption of carbon dioxide and ammonia in transition metal-doped boron nitride nanotubes.
Lima KAL, Cunha WFD, Monteiro FF, Enders BG, Jr MLP, Jr LAR.
Lima KAL, et al.
J Mol Model. 2019 Nov 26;25(12):359. doi: 10.1007/s00894-019-4235-9.
J Mol Model. 2019.
PMID: 31773288
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