Phase Separation at the Nanoscale: Structural Properties of BaO Segregates on MgO-Based Nanoparticles
Journal article, 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
Author
A. Sternig
Friedrich-Alexander-Universität Erlangen-Nürnberg
Simon Klacar
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
J. Bernardi
Technische Universitat Wien
M. Stoger-Pollach
Technische Universitat Wien
Henrik Grönbeck
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
O. Diwald
Friedrich-Alexander-Universität Erlangen-Nürnberg
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 115 32 15853-15861Areas of Advance
Nanoscience and Nanotechnology
Energy
Materials Science
Roots
Basic sciences
Subject Categories (SSIF 2011)
Atom and Molecular Physics and Optics
DOI
10.1021/jp204043g