Browsing División de Nanociencias y Materiales by Author "Ricardo Chávez, José Luis"
Now showing items 1-6 of 6
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Dibenzothiophene adsorption at boron doped carbon nanoribbons studied within density functional theory
López Albarrán, Pablo; Navarro Santos, Pedro; Garcia Ramirez, Mario Alberto; Ricardo Chávez, José Luis (2015-07)"The adsorption of dibenzothiophene (DBT) on bare and boron-doped armchair carbon nanoribbons (ACNRs) is being investigated in the framework of the density functional theory by implementing periodic boundary conditions ... -
Effect of packing on the cohesive and electronic properties of methanofullerene crystals
Nápoles Duarte, José Manuel; Reyes Reyes, Marisol; Ricardo Chávez, José Luis; Garibay Alonso, Raúl; López Sandoval, Román (2008-07)"The crystal structure, cohesive energy, and electronic properties of bulk phases of the fullerene derivative [6, 6]-phenyl-C(61)-butyric-acid-methyl-ester (PCBM) have been calculated using ab initio density-functional ... -
First-principles study of Mn3adsorbed on Au(111) and Cu(111) surfaces
Hernández Vázquez, Esther Elena; López Moreno, Sinhué; Muñoz, Francisco J.; Ricardo Chávez, José Luis; Morán López, José Luis (Royal Society of Chemistry, 2021)"A theoretical study of the Mn trimer adsorbed on the noble metal surfaces Au(111) and Cu(111) is reported. The calculations were performed using first-principles methods within the density functional theory and the ... -
Propiedades estructurales y magnéticas de aleaciones subnanométricas de FePt
Ponce Tadeo, Ana Paulina (2018-08)"Las nanoaleaciones binarias, compuestas por metales de transición, han sido objeto de numerosos estudios, ya que se espera que las propiedades de los elementos individuales se acoplen y potencialicen al ser mezclados. Del ... -
Propiedades magnéticas de agregados CoAgN(N≤6).
Rodríguez y Domínguez Kessler, Peter Ludwing (2010)"El presente trabajo es un estudio de la interrelación entre las propiedades estructurales y magnéticas de agregados de plata dopados con una impureza de cobalto. Estos sistemas muestran a nivel experimental interesantes ... -
Reactividad y propiedades catalíticas de partículas subnanométricas de Pt y FePt: un estudio basado en la teoría de la funcional de la densidad
Rodríguez y Domínguez Kessler, Peter Ludwing (2015-11)"Atomic clusters constitute a new phase of matter, being the bridge between atoms and bulk. These systems have generated considerable interest, triggering one extensive research due to the fact that their physical and ...