Search Results - Hurtado-Aular, Oscar

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  1. 1
    DFT+U study of the electronic structure changes of WO3 monoclinic and hexagonal surfaces upon Cu, Ag, and Au adsorption. Applications for CO adsorption

    DFT+U study of the electronic structure changes of WO3 monoclinic and hexagonal surfaces upon Cu, Ag, and Au adsorption. Applications for CO adsorption by Hurtado-Aular, Oscar, Añez, Rafael, Sierraalta, Aníbal

    Published in Surface science
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  2. 2
    Cu(111)-supported W3Ox clusters: Stoichiometry and symmetry effects on CO2 activation and dissociation

    Cu(111)-supported W3Ox clusters: Stoichiometry and symmetry effects on CO2 activation and dissociation by Hurtado-Aular, Oscar, Ferullo, Ricardo M., Belelli, Patricia G.

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  3. 3
    CO2 activation and dissociation on the Fe2O3/Cu(111) inverse catalyst: A dispersion-corrected DFT study

    CO2 activation and dissociation on the Fe2O3/Cu(111) inverse catalyst: A dispersion-corrected DFT study by Hurtado-Aular, Oscar, Ferullo, Ricardo M., Belelli, Patricia G.

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  4. 4
    Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS S-edge induced by hydrogen adsorption under HDS reaction conditions

    Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS S-edge induced by hydrogen adsorption under HDS reaction conditions by Vidal, Alba B, Hurtado-Aular, Oscar, Peña-Mena, José Luis, Añez, Rafael, Sierraalta, Aníbal

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  5. 5
    Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS 2 S-edge induced by hydrogen adsorption under HDS reaction conditions

    Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS 2 S-edge induced by hydrogen adsorption under HDS reaction conditions by Vidal, Alba B, Hurtado-Aular, Oscar, Peña-Mena, José Luis, Añez, Rafael, Sierraalta, Aníbal

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  6. 6
    Unraveling the Structure and Surface Chemistry of the Phosphosulfide Phase Formed on Ni 2 P under Hydrodesulfurization Reaction Conditions: A DFT Study

    Unraveling the Structure and Surface Chemistry of the Phosphosulfide Phase Formed on Ni 2 P under Hydrodesulfurization Reaction Conditions: A DFT Study by Vidal, Alba B., Peña-Mena, José Luis, Hurtado-Aular, Oscar, Añez, Rafael, Sierraalta, Aníbal

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  7. 7
    Discovering the root of the stability of hexagonal WO3 surfaces from a periodic DFT perspective

    Discovering the root of the stability of hexagonal WO3 surfaces from a periodic DFT perspective by Hurtado-Aular, Oscar, Añez, Rafael, Sierraalta, Aníbal, Calderón, Jacqueline

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  8. 8
    Periodic DFT study of water adsorption on m-WO3(001), m-WO3(100), h-WO3(001) and h-WO3(100). Role of hydroxyl groups on the stability of polar hexagonal surfaces

    Periodic DFT study of water adsorption on m-WO3(001), m-WO3(100), h-WO3(001) and h-WO3(100). Role of hydroxyl groups on the stability of polar hexagonal surfaces by Hurtado-Aular, Oscar, Vidal, Alba B., Sierraalta, Aníbal, Añez, Rafael

    Published in Surface science
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  9. 9
    DFT thermodynamic study of the adsorption of CO2 and H2O on W3Ox/M(111) (x = 6 or 9 and M = Cu, Ag or Au). Insight for the water-gas shift reaction

    DFT thermodynamic study of the adsorption of CO2 and H2O on W3Ox/M(111) (x = 6 or 9 and M = Cu, Ag or Au). Insight for the water-gas shift reaction by Hurtado-Aular, Oscar, Vidal, Alba B., Peña-Mena, Jluis, Sierraalta, Aníbal, Añez, Rafael

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  10. 10
    Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS2 S-edge induced by hydrogen adsorption under HDS reaction conditions

    Theoretical insight into the rearrangement of sulfur atoms on the Ni- and Cu-doped MoS2 S-edge induced by hydrogen adsorption under HDS reaction conditions by Vidal, Alba B, Hurtado-Aular, Oscar, Peña-Mena, José Luis, Añez, Rafael, Sierraalta, Aníbal

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  11. 11
    Unraveling the Structure and Surface Chemistry of the Phosphosulfide Phase Formed on Ni2P under Hydrodesulfurization Reaction Conditions: A DFT Study

    Unraveling the Structure and Surface Chemistry of the Phosphosulfide Phase Formed on Ni2P under Hydrodesulfurization Reaction Conditions: A DFT Study by Vidal, Alba B., Peña-Mena, José Luis, Hurtado-Aular, Oscar, Añez, Rafael, Sierraalta, Aníbal

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