Publikationen (41) Publikationen von ESTEFANIA GERMAN GOROSITO

2024

  1. New Two-Dimensional Materials Obtained by Functionalization of Boron Graphdiyne Layers with Nickel

    Nanomaterials, Vol. 14, Núm. 21

2023

  1. Supported Metal Nanohydrides for Hydrogen Storage

    Chemistry of Materials, Vol. 35, Núm. 3, pp. 1134-1147

  2. The Oxygen Evolution Reaction at MoS2 Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular Simulations

    Molecules, Vol. 28, Núm. 13

2022

  1. Catalytic activity of Co–Ag nanoalloys to dissociate molecular hydrogen. New insights on the chemical environment

    International Journal of Hydrogen Energy, Vol. 47, Núm. 44, pp. 19038-19050

  2. Infrared spectra and structures of C60Rhn+ complexes

    Carbon, Vol. 197, pp. 535-543

2021

  1. Adsorption of transition metal clusters on Boron-graphdiyne

    Applied Surface Science, Vol. 548

  2. C60Con complexes as hydrogen adsorbing materials

    International Journal of Hydrogen Energy, Vol. 46, Núm. 39, pp. 20594-20606

  3. Interaction of hydrogen with palladium–copper nanoalloys

    Theoretical Chemistry Accounts, Vol. 140, Núm. 4

2020

  1. Nanoalloys of Metals Which Do Not Form Bulk Alloys: The Case of Ag-Co

    Journal of Physical Chemistry A, Vol. 124, Núm. 32, pp. 6468-6477

  2. Reactivity of Cobalt-Fullerene Complexes towards Deuterium

    ChemPhysChem, Vol. 21, Núm. 10, pp. 1012-1018

  3. Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction?

    Applied Surface Science, Vol. 528

2019

  1. A DFT study of H2 adsorption on Pdn/SnO2 (110) surfaces (n = 1−10)

    European Physical Journal B, Vol. 92, Núm. 5

  2. Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study

    International Journal of Hydrogen Energy, Vol. 44, Núm. 16, pp. 8376-8383

2018

  1. Comparison of standard DFT and Hubbard-DFT methods in structural and electronic properties of TiO 2 polymorphs and H-titanate ultrathin sheets for DSSC application

    Applied Surface Science, Vol. 428, pp. 118-123

  2. Hydrogen titanate nanotubes for dye sensitized solar cells applications: Experimental and theoretical study

    Materials Research Bulletin, Vol. 106, pp. 40-48

  3. Molybdenum incorporation on AB2 alloys-Part II. On the synergetic effects of Laves and non-Laves phases

    Journal of Alloys and Compounds, Vol. 737, pp. 530-535

2017

  1. A DFT + U study on structural, electronic, vibrational and thermodynamic properties of TiO2 polymorphs and hydrogen titanate: Tuning the hubbard ‘U-term’

    Journal of Physics Communications, Vol. 1, Núm. 5

  2. Hydrogen divacancy diffusion: A new perspective on H migration in MgH2 materials for energy storage

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 2, pp. 1174-1180

  3. Theoretical study of new potential semiconductor surfaces performance for dye sensitized solar cell usage: TiO2-B (001), (100) and H2Ti3O7 (100)

    Applied Surface Science, Vol. 426, pp. 1182-1189

2016

  1. A microscopic level insight into Pt doped TiZn (001) surface for hydrogen energy storage usage

    RSC Advances, Vol. 6, Núm. 77, pp. 73566-73575