Stability and mobility of supported Nin (n = 1-10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study.
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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