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.

molecular-beam epitaxy

p782

catalysts

temperature

cune rc

size

optical-surface properties

barium oxide

nanocrystallites

v66

1983

v59

1991

growth

kee ra

magnesium-oxide

p111

morphology

Författare

A. Sternig

Friedrich-Alexander-Universität Erlangen-Nürnberg

Simon Klacar

Chalmers, Teknisk fysik, Kemisk fysik

Kompetenscentrum katalys (KCK)

J. Bernardi

Technische Universitat Wien

M. Stoger-Pollach

Technische Universitat Wien

Henrik Grönbeck

Kompetenscentrum katalys (KCK)

Chalmers, Teknisk fysik, Kemisk fysik

O. Diwald

Friedrich-Alexander-Universität Erlangen-Nürnberg

Journal of Physical Chemistry C

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

Vol. 115 15853-15861

Styrkeområden

Nanovetenskap och nanoteknik

Energi

Materialvetenskap

Fundament

Grundläggande vetenskaper

Ämneskategorier

Atom- och molekylfysik och optik

DOI

10.1021/jp204043g