Theoretical and experimental studies of structural defects in ceo2 nanoparticles

Тип публикации: доклад, тезисы доклада, статья из сборника материалов конференций

Конференция: Asian School-Conference on Physics and Technology of Nanostructured Materials, ASCO-Nanomat 2020

Год издания: 2020

Идентификатор DOI: 10.4028/www.scientific.net/SSP.312.68

Ключевые слова: ab initio calculation, atomic structure, cerium oxide, defects, laser ablation, nanoparticles

Аннотация: The atomic structure and morphology of cerium oxide nanoparticles obtained by laser ablation are experimentally and theoretically investigated. Using transmission electron microscopy, X-ray diffractometry, and electron energy loss spectroscopy, it has been shown that particles are enriched in oxygen vacancies that stabilize their internal structure. The density functional method was used to study the dependence of the unit cell parameter of CeO2 nanoparticles on their size. An analysis of the charge density distribution shows a different structural distribution of Ce3+ and Ce4+ atoms in nanoparticles. © 2020 Trans Tech Publications Ltd, Switzerland.

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Издание

Журнал: Solid State Phenomena

Выпуск журнала: Vol. 312 SSP

Номера страниц: 68-73

ISSN журнала: 10120394

Издатель: Trans Tech Publications Ltd

Персоны

Fedorov A.S. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)
Chibisov A.N. (Computing Center of FEB RAS, 65 Kim Yu Chen St, Khabarovsk, 680000, Russian Federation)
Kuzmenko A.P. (Southwest State University, 94, 50 let Oktyabrya St, Kursk, 305040, Russian Federation)
Fedorov A.S. (Siberian Federal University, Krasnoyarsk, 660041, Russian Federation)

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