A possible highly active supported Ni dimer catalyst for O2 dissociation: A first-principles study
Sign Up to like & getrecommendations! Published in 2017 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.01.057
Abstract: Abstract The adsorption and dissociation of O2 on the supported small nickel clusters with one-, two-, three-Ni atoms on yttria-stabilized zirconia (YSZ) (111) surfaces, as well as those on the bare YSZ(111) and Ni(111) surfaces… read more here.
Keywords: possible highly; dissociation; active supported; highly active ... See more keywords
Stability and mobility of supported Nin (n = 1-10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study.
Sign Up to like & getrecommendations! Published in 2018 at "Faraday discussions"
DOI: 10.1039/c7fd00217c
Abstract: The performance of supported metal catalysts, such as nickel nanoparticles decorating yttria-stabilized zirconia (YSZ), depends on their microstructure and the metal-support interface. Here, we have used spin polarized density functional theory (DFT) to evaluate different… read more here.
Keywords: density functional; zro2 111; 111 ysz; ysz 111 ... See more keywords