Costa-Amaral R - Search Results

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Exploring Intrinsic and Extrinsic p-Type Dopability of Atomically Thin β-TeO₂ from First Principles.

Costa-Amaral R, Bae S, Vu TNH, Kumagai Y. Costa-Amaral R, et al. ACS Appl Mater Interfaces. 2025 Jan 8;17(1):1605-1614. doi: 10.1021/acsami.4c17868. Epub 2024 Dec 26. ACS Appl Mater Interfaces. 2025. PMID: 39725606

First-principles study of the adsorption of 3d transition metals on BaO- and TiO₂-terminated cubic-phase BaTiO₃(001) surfaces.

Costa-Amaral R, Gohda Y. Costa-Amaral R, et al. J Chem Phys. 2020 May 29;152(20):204701. doi: 10.1063/5.0008130. J Chem Phys. 2020. PMID: 32486662

The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction.

Mendes PCD , Costa-Amaral R , Gomes JF , Da Silva JLF . Mendes PCD , et al. Among authors: costa amaral r. Phys Chem Chem Phys. 2019 Apr 17;21(16):8434-8444. doi: 10.1039/c9cp00752k. Phys Chem Chem Phys. 2019. PMID: 30949640

Ab initio investigation of the formation of ZrO₂-like structures upon the adsorption of Zr _n on the CeO₂(111) surface.

Mucelini J, Costa-Amaral R, Seminovski Y, Da Silva JLF. Mucelini J, et al. Among authors: costa amaral r. J Chem Phys. 2018 Dec 28;149(24):244702. doi: 10.1063/1.5063732. J Chem Phys. 2018. PMID: 30599733

The adsorption of alcohols on strained Pt₃Ni(111) substrates: a density functional investigation within the D3 van der Waals correction.

Costa-Amaral R , Da Silva JLF . Costa-Amaral R , et al. Phys Chem Chem Phys. 2018 Sep 26;20(37):24210-24221. doi: 10.1039/c8cp02874e. Phys Chem Chem Phys. 2018. PMID: 30209491

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