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.
kee ra
size
morphology
1983
magnesium-oxide
growth
p782
v66
nanocrystallites
catalysts
molecular-beam epitaxy
1991
barium oxide
temperature
optical-surface properties
cune rc
p111
v59
Author
A. Sternig
University of Erlangen-Nuremberg (FAU)
Simon Klacar
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
J. Bernardi
Vienna University of Technology
M. Stoger-Pollach
Vienna University of Technology
Henrik Grönbeck
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
O. Diwald
University of Erlangen-Nuremberg (FAU)
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
Atom and Molecular Physics and Optics
DOI
10.1021/jp204043g