Search Results - "Costa-Amaral, Rafael" :: K.UTB vyhledávací portál

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

by Mendes, Paulo C. D, Costa-Amaral, Rafael, Gomes, Janaina F, Da Silva, Juarez L. F
Published in Physical chemistry chemical physics : PCCP (17.04.2019)

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

by Mucelini, Johnatan, Costa-Amaral, Rafael, Seminovski, Yohanna, Da Silva, Juarez L. F.
Published in The Journal of chemical physics (28.12.2018)

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Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight

by Kudo, Saki, Yamasaki, Tomoyuki, Suzuki, Issei, Dorai, Arunkumar, Costa-Amaral, Rafael, Bae, Soungmin, Kumagai, Yu, Tanimura, Hiroshi, Ichitsubo, Tetsu, Omata, Takahisa
Published in APL materials (01.04.2025)

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Origin of anisotropic magnetoresistance tunable with electric field in C o 2 FeSi/ BaTi O 3 multiferroic interfaces

by Tsuna, Shunsuke, Costa-Amaral, Rafael, Gohda, Yoshihiro
Published in Journal of applied physics (21.12.2022)

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

by Costa-Amaral, Rafael, Gohda, Yoshihiro
Published in The Journal of chemical physics (29.05.2020)

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

by Costa-Amaral, Rafael, Bae, Soungmin, Vu, Thi Ngoc Huyen, Kumagai, Yu
Published in ACS applied materials & interfaces (26.12.2024)

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Exploring Intrinsic and Extrinsic p -Type Dopability of Atomically Thin β-TeO 2 from First Principles

by Costa-Amaral, Rafael, Bae, Soungmin, Vu, Thi Ngoc Huyen, Kumagai, Yu
Published in ACS applied materials & interfaces (08.01.2025)

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Origin of anisotropic magnetoresistance tunable with electric field in Co2FeSi/BaTiO3 multiferroic interfaces

by Tsuna, Shunsuke, Costa-Amaral, Rafael, Gohda, Yoshihiro
Published in Journal of applied physics (21.12.2022)

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

by Costa-Amaral, Rafael, Gohda, Yoshihiro
Published in The Journal of chemical physics (29.05.2020)

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

by Costa-Amaral, Rafael, Da Silva, Juarez L. F
Published in Physical chemistry chemical physics : PCCP (26.09.2018)

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Ab initio investigation of the formation of ZrO 2 -like structures upon the adsorption of Zr n on the CeO 2 (111) surface

by Mucelini, Johnatan, Costa-Amaral, Rafael, Seminovski, Yohanna, Da Silva, Juarez L F
Published in The Journal of chemical physics (28.12.2018)

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Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation

by Costa-Amaral, Rafael, Forhat, Ahmad, Caturello, Naidel A. M. S., Silva, Juarez L. F. Da
Published in Surface science (01.11.2020)

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The adsorption of alcohols on strained Pt 3 Ni(111) substrates: a density functional investigation within the D3 van der Waals correction

by Costa-Amaral, Rafael, Da Silva, Juarez L. F.
Published in Physical chemistry chemical physics : PCCP (13.09.2018)

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

by Costa-Amaral, Rafael, Da Silva, Juarez L F
Published in Physical chemistry chemical physics : PCCP (2018)

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

by Mucelini, Johnatan, Costa-Amaral, Rafael, Seminovski, Yohanna, Da Silva, Juarez L. F.
Published in The Journal of chemical physics (28.12.2018)

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Accurate atomic electron affinities calculated by using anionic Gaussian basis sets

by Costa-Amaral, Rafael, Tello, Ana C. M., Comar, Moacyr, da Silva, Albérico Borges Ferreira
Published in Theoretical chemistry accounts (01.08.2020)

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Exploring Intrinsic and Extrinsic $p$-type Dopability of Atomically Thin $\beta$-TeO$_2$ from First Principles

by Costa-Amaral, Rafael, Bae, Soungmin, Huyen, Vu Thi Ngoc, Kumagai, Yu
Year of Publication 17.10.2024

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Native defects and $p$-type dopability in transparent $\beta$-TeO$_2$: A first-principles study

by Huyen, Vu Thi Ngoc, Bae, Soungmin, Costa-Amaral, Rafael, Kumagai, Yu
Year of Publication 04.08.2024

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Exploring Intrinsic and Extrinsic $p$-type Dopability of Atomically Thin $\beta$-TeO$_2$ from First Principles

by Costa-Amaral, Rafael, Bae, Soungmin, Vu Thi Ngoc Huyen, Kumagai, Yu
Published in arXiv.org (18.10.2024)

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Native defects and $p$-type dopability in transparent $\beta$-TeO$_2$: A first-principles study

by Vu Thi Ngoc Huyen, Bae, Soungmin, Costa-Amaral, Rafael, Kumagai, Yu
Published in arXiv.org (04.08.2024)

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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

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

Role of hydrogen in the n-type oxide semiconductor MgIn2O4: Experimental observation of electrical conductivity and first-principles insight

Origin of anisotropic magnetoresistance tunable with electric field in C o 2 FeSi/ BaTi O 3 multiferroic interfaces

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

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

Exploring Intrinsic and Extrinsic p -Type Dopability of Atomically Thin β-TeO 2 from First Principles

Origin of anisotropic magnetoresistance tunable with electric field in Co2FeSi/BaTiO3 multiferroic interfaces

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

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

Ab initio investigation of the formation of ZrO 2 -like structures upon the adsorption of Zr n on the CeO 2 (111) surface

Unveiling the adsorption properties of 3d, 4d, and 5d metal adatoms on the MoS2 monolayer: A DFT-D3 investigation

The adsorption of alcohols on strained Pt 3 Ni(111) substrates: a density functional investigation within the D3 van der Waals correction

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

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

Accurate atomic electron affinities calculated by using anionic Gaussian basis sets

Exploring Intrinsic and Extrinsic $p$-type Dopability of Atomically Thin $\beta$-TeO$_2$ from First Principles

Native defects and $p$-type dopability in transparent $\beta$-TeO$_2$: A first-principles study

Exploring Intrinsic and Extrinsic \(p\)-type Dopability of Atomically Thin \(\beta\)-TeO\(_2\) from First Principles

Native defects and \(p\)-type dopability in transparent \(\beta\)-TeO\(_2\): A first-principles study

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