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Theoretical insights into the methane catalytic decomposition on graphene nanoribbons edges.
Front Chem. 2023 Jun 1;11:1172687. doi: 10.3389/fchem.2023.1172687. eCollection 2023.
Front Chem. 2023.
PMID: 37324559
Free PMC article.
First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane.
Xavier NF Jr, Bauerfeldt GF, Sacchi M.
Xavier NF Jr, et al.
ACS Appl Mater Interfaces. 2023 Feb 8;15(5):6951-6962. doi: 10.1021/acsami.2c20937. Epub 2023 Jan 26.
ACS Appl Mater Interfaces. 2023.
PMID: 36700729
Free PMC article.
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How does tuning the van der Waals bonding strength affect adsorbate structure?
Maier P, Xavier NF Jr, Truscott CL, Hansen T, Fouquet P, Sacchi M, Tamtögl A.
Maier P, et al. Among authors: xavier nf jr.
Phys Chem Chem Phys. 2022 Dec 14;24(48):29371-29380. doi: 10.1039/d2cp03468a.
Phys Chem Chem Phys. 2022.
PMID: 36448738
Free PMC article.
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Supercell calculations of the geometry and lattice energy of α-glycine crystal.
Xavier NF Jr, Da Silva AM Jr, Bauerfeldt GF.
Xavier NF Jr, et al.
J Mol Model. 2019 Jul 24;25(8):244. doi: 10.1007/s00894-019-4124-2.
J Mol Model. 2019.
PMID: 31342179
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