Phase Separation at the Nanoscale: Structural Properties of BaO Segregates on MgO-Based Nanoparticles
Artikel i vetenskaplig tidskrift, 2011

Composite BaO/MgO nanoparticles have been prepared by chemical vapor synthesis and subsequent annealing in controlled gas atmospheres. High resolution transmission electron microscopy and X-ray diffraction reveal that a part of the obtained nanoparticles can be characterized as support particles with hemispherical BaO phases. The structural and energetic properties of BaO units dissolved inside the MgO host and adsorbed on MgO(100) were investigated by density functional theory (DFT) calculations. Moreover, ab initio thermodynamics was used to explore the shape of BaO and MgO particles in a water environment as a function of temperature. The calculations suggest that the spherical shapes of the segregates result from the growth process and become thermodynamically stabilized by surface hydroxylation.

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size

morphology

1983

magnesium-oxide

growth

p782

v66

nanocrystallites

catalysts

molecular-beam epitaxy

1991

barium oxide

temperature

optical-surface properties

cune rc

p111

v59

Författare

A. Sternig

Friedrich-Alexander-Universität Erlangen Nurnberg (FAU)

Simon Klacar

Kompetenscentrum katalys (KCK)

Chalmers, Teknisk fysik, Kemisk fysik

J. Bernardi

Technische Universität Wien

M. Stoger-Pollach

Technische Universität Wien

Henrik Grönbeck

Kompetenscentrum katalys (KCK)

Chalmers, Teknisk fysik, Kemisk fysik

O. Diwald

Friedrich-Alexander-Universität Erlangen Nurnberg (FAU)

Journal of Physical Chemistry C

1932-7447 (ISSN) 1932-7455 (eISSN)

Vol. 115 32 15853-15861

Styrkeområden

Nanovetenskap och nanoteknik

Energi

Materialvetenskap

Fundament

Grundläggande vetenskaper

Ämneskategorier

Atom- och molekylfysik och optik

DOI

10.1021/jp204043g

Mer information

Senast uppdaterat

2018-03-29