TY - THES A3 - Vega Hierro, Andrés AU - Vinuesa Sanz, Guillermo PY - 2019 UR - http://uvadoc.uva.es/handle/10324/38473 AB - First-principles calculations were conducted for charged iron-nickel nanoalloys to study their structural and electronic properties. These can help in determining their reactivity and stability, to asses if they are good candidates as catalysts for... LA - spa KW - Density functional theory KW - Nanoalloys KW - Nanoreactivity KW - Electronic Structure TI - Reactivity and oxidation of FexNi13-x nanoalloys M3 - info:eu-repo/semantics/masterThesis ER -