1
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Material Type: Artigo
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Stacking order effects on the electronic and optical properties of graphene/transition metal dichalcogenide Van der Waals heterostructures
Julian Francisco Rama Vieira Silveira Rafael Besse; Juarez Lopes Ferreira da Silva
ACS Applied Electronic Materials Washington, DC v. 3, n. 4, p. 1671-1680, Apr. 2021
Washington, DC 2021
Localização:
IFSC - Inst. Física de São Carlos
(PROD031397 ) e outros locais(Acessar)
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2
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Material Type: Artigo
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Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†
Paulo de Carvalho Dias Mendes Lucas Garcia Verga; Juarez Lopes Ferreira da Silva
Physical Chemistry Chemical Physics United Kingdom: Royal Society of Chemistry v. 23, p.6029-6041, 2021
Cambridge 2021
Localização:
IQSC - Inst. Química de São Carlos
(P19281 )(Acessar)
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3
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Material Type: Artigo
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Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm
Felipe Orlando Morais Karla Furtado Andriani; Juarez Lopes Ferreira da Silva
Journal of Chemical Information and Modeling Washington, DC v. 61, n. 7, p. 3411-3420, July 2021
Washington, DC 2021
Localização:
IFSC - Inst. Física de São Carlos
(PROD031669 ) e outros locais(Acessar)
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4
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Material Type: Artigo
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Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface Interplay between interaction energy and morphology
Matheus P. Lima Naidel A. M. S Caturello; Juarez Lopes Ferreira da Silva
Applied Surface Science Amsterdam: Elsevier BV v.604, p.154413, 2022
Amsterdam 2022
Localização:
IQSC - Inst. Química de São Carlos
(P20037 )(Acessar)
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5
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Material Type: Artigo
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Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency
A. C. Dias Helena Bragança; João Paulo Almeida de Mendonça; Juarez Lopes Ferreira da Silva
ACS Applied Energy Materials Washington: American Chemical Society v. 4, n.4, p. 3265–3278, 2021
Washington 2021
Localização:
IQSC - Inst. Química de São Carlos
(P19344 )(Acessar)
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6
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Material Type: Artigo
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Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations
Abner M. Sampaio Julian Francisco Rama Vieira Silveira; Luis G Dias; Juarez Lopes Ferreira da Silva; Leonardo J. A. de Siqueira
FlatChem Amsterdam: Elsevier BV p.100413, 2022
Amsterdam 2022
Localização:
IQSC - Inst. Química de São Carlos
(P20021 )(Acessar)
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7
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Material Type: Artigo
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Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries A Molecular Dynamics Study
Tuanan da Costa Lourenço Mahsa Ebadi; Daniel Brandell; Juarez Lopes Ferreira da Silva; Luciano Tavares da Costa
The Journal of Physical Chemistry B Washington: American Chemical Society v. 124, p. 9648−9657, Sept, 2020
Washington 2020
Localização:
IQSC - Inst. Química de São Carlos
(P19043 )(Acessar)
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8
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Material Type: Artigo
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First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys
Alexandre Cavalheiro Dias Helena Bragança; Matheus P Lima; Juarez Lopes Ferreira da Silva
Physical Review Materials Maryland: American Physical Society v.6, p.54001, 2022
Maryland 2022
Localização:
IQSC - Inst. Química de São Carlos
(P19906 )(Acessar)
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9
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Material Type: Artigo
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Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters
Krys E. A. Batista Marinalva D Soares; Marcos G Quiles; Maurício J Piotrowski; Juarez Lopes Ferreira Da Silva
Journal of Chemical Information and Modeling Washington: American Chemical Society v. 61, n. 5, p. 2294–2301, 2021
Washington 2021
Localização:
IQSC - Inst. Química de São Carlos
(P19365 )(Acessar)
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10
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Material Type: Artigo
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Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and 5d transition-metal clusters
Raquel C. Bezerra João Paulo A. de Mendonça; Paulo de Carvalho Dias Mendes Raimundo R. Passos; Juarez Lopes Ferreira da Silva
Physical Chemistry Chemical Physics Cambridge: Royal Society of Chemistry v. 23, p. 17553-17566, 2021
Cambridge 2021
Localização:
IQSC - Inst. Química de São Carlos
(P19498 )(Acessar)
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