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1
Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm
Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm
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Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm

Larissa Zibordi-Besse Yohanna Seminovski; Israel Rosalino; Diego Guedes Sobrinho; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C Washington, DC : American Chemical Society - ACS v. 122, p. 27702-27712,2018

Washington, DC 2018

Localização: IQSC - Inst. Química de São Carlos    (P17888 )(Acessar)

2
Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces
Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces
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Comparison of the perfomance of van der waals dispersion functionals in the description of water and ethanol on transition metal surfaces

Rafael Luiz Heleno Freire Diego Guedes Sobrinho; Adam Kiejna; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C v. 122, n. 3, p. 1577-1588, 2018

Washington 2018

Localização: IQSC - Inst. Química de São Carlos    (P17358 )(Acessar)

3
Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys
Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys
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Ab initio investigation of the role of CO adsorption on the physical properties of 55-Atom PtCo nanoalloys

Diego Guedes Sobrinho Rafael L. H Freire; Anderson S Chaves; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C Washington v.121, p. 27721-27732,2017

Washington 2017

Localização: IQSC - Inst. Química de São Carlos    (P17282 )(Acessar)

4
Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters a density functional theory investigation
Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters a density functional theory investigation
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Structure, electronic, and magnetic properties of binary PtnTM55−n (TM = Fe, Co, Ni, Cu, Zn) nanoclusters a density functional theory investigation

Diego Guedes Sobrinho Ricardo Kita Nomiyama; Anderson Chaves Chaves; Maurício Jeomar Piotrowski; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C v. 119, p. 15669-15679, 2015

Washington 2015

Localização: IQSC - Inst. Química de São Carlos    (P15760 )(Acessar)

5
Theoretical study of the structural, energetic and electronic properties of 55-atom metal nanoclusters a DFT investigation within van der Waals corrections, spin-orbit coupling and PBE+u of 42 metal systems
Theoretical study of the structural, energetic and electronic properties of 55-atom metal nanoclusters a DFT investigation within van der Waals corrections, spin-orbit coupling and PBE+u of 42 metal systems
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Theoretical study of the structural, energetic and electronic properties of 55-atom metal nanoclusters a DFT investigation within van der Waals corrections, spin-orbit coupling and PBE+u of 42 metal systems

Maurício Jeomar Piotrowski Crina Georgeta Ungureanu; Polina Tereshchuk; Krys E. A Batista; Anderson S Chaves; Diego Guedes Sobrinho; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C Washington v. 120, n. 50, p. 28844-28856, 2016

Washington 2016

Localização: IQSC - Inst. Química de São Carlos    (P16677 )(Acessar)

6
Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides the examples of MoS2, MoSe2, and MoTe
Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides the examples of MoS2, MoSe2, and MoTe
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Ab initio investigation of atomistic insights into the nanoflakes formation of transition-metal dichalcogenides the examples of MoS2, MoSe2, and MoTe

Naidel A. M. S Caturello Rafael Besse; Augusto C. H. da Silva; Diego Guedes Sobrinho; Matheus P Lima; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C Washington: American Chemical Society v.122, p.27059-27069, Nov. 2018

Washington 2018

Localização: IQSC - Inst. Química de São Carlos    (P17864 )(Acessar)

7
Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory
Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory
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Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory

Rafael Besse Naidel Antonio Moreira dos Santos Caturello; Carlos M. O Bastos; Diego Guedes Sobrinho; Matheus P Lima; Guilherme Matos Sipahi; Juarez Lopes Ferreira da Silva

Journal of Physical Chemistry C Washington: American Chemical Society - ACS v. 122, n. 35, p. 20483-20488, Aug. 2018

Washington, DC 2018

Localização: IFSC - Inst. Física de São Carlos    (PROD027691 ) e outros locais(Acessar)

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Deste Autor:

  1. Guedes-Sobrinho, D
  2. Silva, J
  3. Chaves, A
  4. Caturello, N
  5. Freire, R

Neste Assunto:

  1. Físico-Química
  2. Nanopartículas
  3. Etanol
  4. Catálise
  5. Materiais Nanoestruturados

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

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