Buscar

Mostrando ítems 1-10 de 20

1
2

Ab Initio Study of the Structures, Bonding Interactions, and Thermal Stability of the Li-Decorated 2D Biphenylene Sheet

Torres, María Begoña; Lebon, Alexandre; González Tesedo, Luis Enrique

; Gallego, Luis J.; Vega Hierro, Andrés

(2025)

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

Aguilera del Toro, Rodrigo Humberto

; Aguilera Granja, Juan Faustino; Vega Hierro, Andrés

(2024)

Li-decorated BC3 nanopores: Promising materials for hydrogen storage

Cabria Álvaro, Iván

; Lebon, Alexandre; Torres Cabrera, María Begoña; Gallego del Hoyo, Luis Javier; Vega Hierro, Andrés

(2024)

Usable hydrogen-storage capacities of Li-decorated borophene nanopores in charge-discharge cycles

Lebon, Alexandre; Calvez, Baptiste; Torres Cabrera, María Begoña; Gallego del Hoyo, Luis Javier; Vega Hierro, Andrés

(2024-01)

Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

Vega Hierro, Andrés

; Gallego del Hoyo, Luis Javier; Lebon, Alexandre; Álvarez Zapatero, Pablo

; Herrero, Andrés (2021)

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

Álvarez Zapatero, Pablo

; Lebon, Alexandre; Aguilera del Toro, Rodrigo Humberto

; Aguado Rodríguez, Andrés

; Vega Hierro, Andrés

(2021)

A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties

Álvarez Zapatero, Pablo

; Vega Hierro, Andrés

; Aguado Rodríguez, Andrés

(2021)

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

Aguilera del Toro, Rodrigo Humberto

; Aguilera Granja, Juan Faustino; Torres Cabrera, María Begoña; Vega Hierro, Andrés

(2021)

Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study

Vega Hierro, Andrés

; Cabria Álvaro, Iván

; Gallego del Hoyo, Luis Javier; Torres Cabrera, María Begoña; Lebon, Alexandre (2021)

Borophene vs. graphene interfaces: Tuning the electric double layer in ionic liquids

Gómez González, Víctor; Otero Mato, J. Manuel; Montes Campos, Hadrián; García Andrade, Xabier; García Fuente, Amador; Vega Hierro, Andrés

; Carrete, Jesús; Cabeza, Oscar; Gallego, Luis J.; Varela, Luis M. (2020)

1
2