Ссылки

DOI

The mechanism of proton conduction of defect-free perovskite LaScO3 was investigated by abinitio molecular dynamics. The effects of the initial location and speed of a proton, the electric field, and the temperature of the system on the behavior of a proton in metal oxides of the perovskite type are considered. It is shown that the temperature of the system is the main factor affecting the speed of proton movement. The Arrhenius temperature behavior of proton conduction is found. In the absence of oxygen vacancies, the direction of proton movement in a crystal with a perovskite structure is determined by its interaction with lattice phonons; i.e., proton migration through metal-oxide perovskite has a polaronic character. Better understanding of the nature of proton migration along the perfect perovskite is one of the ways to improve the characteristics of clean energy devices.
Язык оригиналаАнглийский
Страницы (с-по)350-357
Число страниц8
ЖурналHigh Temperature
Том61
Номер выпуска3
DOI
СостояниеОпубликовано - 1 июн. 2023

    Предметные области ASJC Scopus

  • Инженерия в целом
  • Condensed Matter Physics

    Предметные области WoS

  • Физика, Прикладная

ID: 54328245