Publikationen in Zusammenarbeit mit Forschern von Universidad Autónoma de San Luis Potosí (24)

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. 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

  3. 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. On the doping of the Ga12As12 cluster with groups p and d atomic impurities

    Theoretical Chemistry Accounts, Vol. 140, Núm. 12

  3. 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

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

    Journal of Physics and Chemistry of Solids, Vol. 150

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

    Journal of Physics and Chemistry of Solids, Vol. 135

  3. 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

2016

  1. New structural and electronic properties of (TiO2)10

    Journal of Chemical Physics, Vol. 144, Núm. 23

2015

  1. Structural, vibrational, and magnetic properties of FeCoOn0/+ (n = 1-6) bimetallic oxide clusters

    Journal of Physical Chemistry C, Vol. 119, Núm. 20, pp. 11200-11209

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

  2. Structure, fragmentation patterns, and magnetic properties of small cobalt oxide clusters

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 39, pp. 21732-21741