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 15853-15861

Areas of Advance

Nanoscience and Nanotechnology (2010-2017)

Energy

Materials Science

Roots

Basic sciences

Subject Categories

Atom and Molecular Physics and Optics

DOI

10.1021/jp204043g

More information

Latest update

3/29/2018