Chemical and structural origin of hole states in yttria-stabilized zirconia
نویسندگان
چکیده
Yttria-stabilized zirconia (YSZ) has important electrochemical applications as a fast oxygen ion conductor and is the state-of-the-art electrolyte material for solid oxide fuel/electrolyzer cells. While much attention been paid to conduction, electronic conductivity especially hole carriers are not well understood, yet essential stability, conduction kinetics microstructural evolution in YSZ. The present work uses first-principles calculations illustrate chemical nature local structural features of states oxidized Three types have identified, including delocalized on normal ions, localized special ions with extreme structures, peroxide-like groups. implications various experimental observations discussed.
منابع مشابه
WEAR REESISTANCE OF NANOSTRUCTURED AND CONVENTIONAL YTTRIA-STABILIZED ZIRCONIA COATINGS
Partially stabilized zirconia (PSZ) has been proven to be an excellent candidate as a thermal barrier coating (TBe) for hot sections in, for instance, heat or internal combustion engines and gas turbine parts. The main functions of these coatings are reducing heat losses, reducing fuel consumption, increasing efficiency, and extending durability and life. One of the main problems involved is we...
متن کاملMolecular dynamics simulations of yttria-stabilized zirconia
Oxygen diffusion in the oxygen ionic conductor yttria-stabilized zirconia is investigated by means of the molecular dynamics simulation technique. Oxygen ions migrate by means of a discrete hopping process, mainly between neighbouring tetrahedral sites. Diffusion appears to occur in a short time and a long time regime. Only when the oxygen ions have moved over distances much larger than the cha...
متن کاملTransparent nanocrystalline yttria-stabilized-zirconia calvarium prosthesis.
UNLABELLED Laser-based diagnostics and therapeutics show promise for many neurological disorders. However, the poor transparency of cranial bone (calvaria) limits the spatial resolution and interaction depth that can be achieved, thus constraining opportunity in this regard. Herein, we report preliminary results from efforts seeking to address this limitation through use of novel transparent cr...
متن کاملAn extended Kalman filter for in situ sensing of yttria-stabilized zirconia in chemical vapor deposition
Chemical vapor deposition (CVD) is an important step in integrated circuit fabrication and is a dynamic process that is complex and subject to unmeasured disturbances. Currently in semiconductor industry the main form of advanced process control for CVD is run-to-run (R2R) control. R2R control is a form of discrete process control in which the processing recipe is modified ex situ based on post...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Materialia
سال: 2021
ISSN: ['1873-2453', '1359-6454']
DOI: https://doi.org/10.1016/j.actamat.2020.116487