Publications : Marisol Alcántara Ortigoza

Publications

M. Alcántara Ortigoza, R. Heid, T. S. Rahman, K.P. Bohnen; “A closer look at how symmetry constraints and the spin-orbit coupling shape the electronic structure of Bi(111)”; In preparation
M. Alcántara Ortigoza and S. Stolbov; “The Perturbation Energy: The missing key to understand gold “nobleness””; J. Chem. Phys. 142, 194705 (2015). URL: http://dx.doi.org/10.1063/1.4919774
S. Stolbov and M. Alcántara Ortigoza; “Gold-doped Graphene: a Highly Stable and Active Electro-catalysts for the Oxygen Reduction Reaction” J. Chem. Phys. 142, 154703 (2015). URL: http://dx.doi.org/10.1063/1.4917468
M. Alcántara Ortigoza, M. Aminpour and T. S. Rahman; “Friedel oscillations responsible for stacking fault of adatoms: The case of Mg(0001) and Be(0001)”; Phys. Rev. B 91, 115401 (2015). URL: http://link.aps.org/doi/10.1103/PhysRevB.91.115401. Available at arXiv:1412.0912 [cond-mat.mtrl-sci]

M. Alcántara Ortigoza, I. Yu. Sklyadneva, R. Heid, E. V. Chulkov, T. S. Rahman, K.P. Bohnen, and P. M. Echenique; “Ab initio lattice dynamics and electron-phonon coupling of Bi(111)”, Phys. Rev. B 90, 195438 (2014); arXiv:1409.3054
M. Alcántara Ortigoza, M. Aminpour and T. S. Rahman; “Revisiting the surface properties of Mg(0001) thin films and their effect on the adatom binding energy and self-diffusion”; Surface Science, 632, 14-19 (2015)
M. Alcántara Ortigoza, R. Heid, K. P. Bohnen, and T. S. Rahman; “Anomalously Soft and Stiff Modes of Transition-Metal Nanoparticles” J. Phys. Chem. C, 118 , 10335 (2014)

T. Tomanic, C. Sürgers, R. Heid, M. Alcántara Ortigoza, K.-P. Bohnen, D. Stöffler, and H. v. Löhneysen; “Local-strain mapping on Ag(111) islands on Nb(110)”; Appl. Phys. Lett. 101, 063111 (2012)
D. Sun, W. Lu, D. Le, Q. Ma, M. Aminpour, M. Alcántara Ortigoza, S. Bobek, J. Mann, J. Wyrick, T. S. Rahman, and L. Bartels; “An MoS_x Structure with High Affinity for Adsorbate Interaction”; Angew. Chem. Int. Ed. 51, 10284 (2012)
S. Stolbov and M. Alcántara Ortigoza; “Rational Design of Competitive Electrocatalysts for Hydrogen Fuel Cells”; J. Phys. Chem. Letts. 3, 463 (2012)
G. S. Shafai, M. Alcántara Ortigoza, and T. S. Rahman; “Vibrations of Au₁₃ and Au₁₂Fe nanoparticles and the limits of the Debye temperature concept”; J. Phys.: Condens. Matter 24, 104026 (2012)

B. Roldan Cuenya, M. Alcántara Ortigoza, L. K. Ono, F. Behafarid, S. Mostafa, J. R. Croy, K. Paredis, G. Shafai, T. S. Rahman, L. Li, Z. Zhang, and J. C. Yang; “Thermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects”; Phys. Rev. B 84, 245438 (2011)
M. Alcántara Ortigoza, R. Heid, K. P. Bohnen, and T. S. Rahman; “Nature of the Binding of a c(2×2)-CO Overlayer on Ag(001) and Surface Mediated Intermolecular Coupling“; J. Phys. Chem. A, 115 (25), 7291 (2011)

M. Alcántara Ortigoza, T. S. Rahman, R. Heid, and K. P. Bohnen; “Ab initio Calculations of the Dispersion of Surface Phonons of a c(2×2)-CO overlayer on Ag(001)“; J. Phys.: Conden Matter 22, 395001
S. S. Hayat, M. Alcántara Ortigoza, M. A. Choudhry, and T. S. Rahman; “Diffusion of the Cu monomer and dimer on Ag(111): Molecular dynamics simulations and density functional theory calculations“; Phys. Rev. B 82, 085405 (2010)
E. Z. Ciftlikli, L. V. Goncharova, B. J. Hinch, M. Alcántara Ortigoza, S. Hong, T. S. Rahman; “Vibrational dynamics of a c(2×2) phase induced by nitrogen adsorption on Cu(001)“; Phys. Rev. B 81, 115465 (2010)

M. Alcántara Ortigoza, R. Heid, and K. P. Bohnen, T. S Rahman; “Effect of c(2×2)-CO overlayer on the phonons of Cu(001): A first-principles study“; Phys. Rev. B 79, 125432 (2009)
S. Stolbov, M. Alcántara Ortigoza, R. R. Adzic, and T. S. Rahman; “High CO tolerance of Pt/Ru nano-catalyst: Insight from first principles“; J. Chem. Phys. 130, 124714 (2009)
S. Stolbov, M. Alcántara Ortigoza, and T. S. Rahman; “Application of density functional theory to CO tolerance in fuel cells: a brief review“; J. Phys.: Condens. Matter 21, 474226 (2009)

M. Alcántara Ortigoza, S. Stolbov, and T. S. Rahman; “Formation of Pt islets on facets of Ru nanoparticles: First-principles study“; Phys. Rev. B 78, 195417 (2008)
M. Alcántara Ortigoza and T. S. Rahman; “First principles calculations of the electronic and geometric structure of Ag₂₇Cu₇ nanoalloy“; Phys. Rev. B 77, 195404 (2008)
M. Alcántara Ortigoza and T. S. Rahman; “Symmetry and novelty in the electronic and geometric structure of nanoalloys: the case of Ag₂₇Cu₇“; Contemporary Physics: Proceedings of the International Symposium by Jamil Aslam, Faheem Hussain, Riazuddin; Published by World Scientific (2008)
M. Alcántara Ortigoza, T. S. Rahman, R. Heid, and K. P. Bohnen; “First-principles study of the lattice dynamics of c(2 × 2)-CO on Cu(001)“; J. Phys.: Condens. Matter 20, 224009 (2008)

M. Alcántara Ortigoza, R. A. Klemm, T. S. Rahman; Comment on “Magnetization of two-dimensional square arrays of nanomagnets“; Phys. Rev. B 74, 226401 (2006)

M. Alcántara Ortigoza, R. A. Klemm, T. S. Rahman; “Effect of dipolar interactions on the magnetization of a cubic array of nanomagnets“; Phys. Rev. B 72, 174416 (2005)