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Resultados de 1 a 10 de 18  para Produção Intelectual da USP

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1
Stacking order effects on the electronic and optical properties of graphene/transition metal dichalcogenide Van der Waals heterostructures
Stacking order effects on the electronic and optical properties of graphene/transition metal dichalcogenide Van der Waals heterostructures
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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)

2
Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†
Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2†
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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)

3
Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm
Investigation of the stability mechanisms of eight-atom binary metal clusters using DFT calculations and k‑means clustering algorithm
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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)

4
Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface Interplay between interaction energy and morphology
Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface Interplay between interaction energy and morphology
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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)

5
Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency
Excitonic Effects on Two-Dimensional Transition-Metal Dichalcogenide Monolayers: Impact on Solar Cell Efficiency
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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)

6
Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations
Adsorption of Ionic Liquids Forming Species on Ti3C2Tx MXenes Surfaces by First-principle Calculations
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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)

7
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries A Molecular Dynamics Study
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries A Molecular Dynamics Study
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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)

8
First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys
First-principles Investigation of the Role of Cr in the Electronic Properties of the Two-dimensional MoxCr1 – xSe2 and WxCr1 – xSe2 Alloys
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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)

9
Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters
Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters
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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)

10
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
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
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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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Deste Autor:

  1. Silva, J
  2. Caturello, N
  3. Lima, M
  4. Besse, R
  5. Silveira, J

Neste Assunto:

  1. Química Teórica
  2. Físico-Química
  3. Adsorção
  4. Baterias Elétricas
  5. Lítio

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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