Sfoglia PNM - Artículos de revistas per Data di Pubblicazione "2021"

Items 1-6 di 6

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)
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)
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)
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)
Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study

Alemany, M. M. G.; Souto Casares, Jaime; González Tesedo, Luis Enrique ; González Fernández, David José (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)