Publications (21) Rodrigo Humberto Aguilera Del Toro publications

2025

  1. Adsorption of As nano-clusters on different graphene environments

    Journal of Physics and Chemistry of Solids, Vol. 196

2024

  1. Effect of Substitutional Metallic Impurities on the Optical Absorption Properties of TiO2

    Nanomaterials, Vol. 14, Núm. 14

2023

  1. Adsorption of silanediol-like molecules on TiO2 nano-clusters: A density-functional-theoretic study

    Journal of Physics and Chemistry of Solids, Vol. 183

  2. Magnetic order and magnetic anisotropy in two-dimensional ilmenenes

    Nanoscale Advances, Vol. 5, Núm. 10, pp. 2813-2819

  3. Structural and electronic changes in the Ni13@Ag42 nanoparticle under surface oxidation: the role of silver coating

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 4, pp. 3117-3125

  4. Theoretical study of structural, electronic and magnetic properties of Co clusters embedded in an Ag matrix

    Solid State Communications, Vol. 372

2021

  1. Bimetalic (AuPt)4 nano-clusters adsorbed on TiO2 nano-wires: A density-functional-theoretic study

    Journal of Physics and Chemistry of Solids, Vol. 159

  2. Relation between structural patterns and magnetism in small iron oxide clusters: Reentrance of the magnetic moment at high oxidation ratios

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 1, pp. 246-272

  3. Structural properties, magnetism and reactivity of Ni13-xFex nanoalloys

    Journal of Magnetism and Magnetic Materials, Vol. 524

  4. TiO2 nano-clusters adsorbed on surfaces: A density-functional-theoretic study

    Journal of Physics and Chemistry of Solids, Vol. 150

  5. Why are Zn-rich Zn-Mg nanoalloys optimal protective coatings against corrosion? A first-principles study of the initial stages of the oxidation process

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 43, pp. 24685-24698

2020

  1. Tuning the magnetic moment of small late 3d-transition-metal oxide clusters by selectively mixing the transition-metal constituents

    Nanomaterials, Vol. 10, Núm. 9, pp. 1-22

2019

  1. A first principles systematic study of the structural, electronic, and magnetic properties of Heusler X2MnZ with X = Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Pt, Au and Z = Al, Si, Ga, Ge, in and Sn

    Materials Research Express, Vol. 6, Núm. 10

  2. Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study

    International Journal of Hydrogen Energy, Vol. 44, Núm. 2, pp. 1021-1033

  3. Structural and electronic properties of (TiO2)10 clusters with impurities: A density functional theory investigation

    Journal of Physics and Chemistry of Solids, Vol. 135

  4. Uncovering the magnetic properties of the AgxNiy (x+y=55) nanoalloys in the whole composition range

    Journal of Magnetism and Magnetic Materials, Vol. 474, pp. 551-562

2018

  1. Structural and electronic properties of (TiO2)N nanowires: A density functional theory investigation

    Journal of Physics and Chemistry of Solids, Vol. 119, pp. 175-182

  2. Structure, fragmentation patterns, and electronic properties of small indium oxide clusters

    Theoretical Chemistry Accounts, Vol. 137, Núm. 4

2017

  1. Structure, fragmentation patterns, and magnetic properties of small nickel oxide clusters

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 4, pp. 3366-3383

2014

  1. Structural and electronic properties of TMn[(BN) 3H6]m complexes with TM = Co (n, m = 1-3) and with TM = Fe, Ni, Ru, Rh, Pd (n = m = 1-3)

    Journal of Physical Chemistry A, Vol. 118, Núm. 16, pp. 2976-2983