Microscopic Link between Electron Localization and Chemical Expansion in AMnO3 and ATiO3 Perovskites (A = Ca, Sr, Ba)
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c02060
Abstract: The microscopic origin of chemical expansion in perovskite oxides, due to formation of oxygen vacancies accompanied by formal reduction of a 3d transition metal, is studied by first-principles calc... read more here.
Keywords: localization chemical; link electron; expansion; electron localization ... See more keywords
Chemical expansion in BaZr0.9−xCexY0.1O3−δ (x = 0 and 0.2) upon hydration determined by high‐temperature X‐ray diffraction
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the American Ceramic Society"
DOI: 10.1111/jace.15275
Abstract: Understanding the strain from chemical expansion of proton-conducting ceramics is crucial to prevent their failure under operating conditions. BZY10 (BaZr0.9Y0.1O3-δ) and BZCY72 (BaZr0.7Ce0.2Y0.1O3-δ) were studied using high temperature X-ray diffraction (HT-XRD) in moist and dry… read more here.
Keywords: chemical expansion; diffraction; high temperature; expansion ... See more keywords