КФУ. Карточка публикации. The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT

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THE INTERPLAY OF MANGANESE AND NITRATE IN HYDROXYAPATITE NANOPARTICLES AS REVEALED BY PULSED EPR AND DFT

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2015

Язык

английский

Авторы, сотрудники КФУ

Биктагиров Тимур Булатович, автор

Гафуров Марат Ревгерович, автор

Мамин Георгий Владимирович, автор

Орлинский Сергей Борисович, автор

Библиографическое описание на языке оригинала

M. Gafurov, T. Biktagirov, G. Mamin, E. Klimashina, V. Putlayev, L. Kuznetsova, S. Orlinskii The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT. Phys Chem Chem Phys 2015 17(31) 20331-20337

Аннотация

The interplay of oppositely charged substitutions in the structure of hydroxyapatite (HAp) nanopowders is investigated on the atomic level by pulsed electron paramagnetic resonance (EPR) technique and ab initio density functional theory calculations. Benefits of EPR to determine Mn2+ ions in nano-HAp samples are demonstrated. A simple approach based on the measurements of electron spin relaxation times allowed observing the strong influence of fast-relaxing Mn2+ ions on the relaxation characteristics of the nitrate ions (NO3−/NO32−) incorporated in trace amounts. Based on the results of ab initio calculations, we show the propensity of Mn2+ and NO3−/NO32− to associate within the HAp crystal lattice. This could have a direct impact on the functional properties of the material especially to resorption and ion exchange. Furthermore, such an effect can increase a propensity of undesired impurities to incorporate into the doped nanocrystals.

Ключевые слова

Manganese, nitrate, EPR, ESR, codoping

Название журнала

Physical Chemistry Chemical Physics

URL

http://www.scopus.com/inward/record.url?eid=2-s2.0-84938634542&partnerID=40&md5=5732e9458180608cd7adab9089a7004a

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https://repository.kpfu.ru/?p_id=119533

Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Биктагиров Тимур Булатович	ru_RU
dc.contributor.author	Гафуров Марат Ревгерович	ru_RU
dc.contributor.author	Мамин Георгий Владимирович	ru_RU
dc.contributor.author	Орлинский Сергей Борисович	ru_RU
dc.date.accessioned	2015-01-01T00:00:00Z	ru_RU
dc.date.available	2015-01-01T00:00:00Z	ru_RU
dc.date.issued	2015	ru_RU
dc.identifier.citation	M. Gafurov, T. Biktagirov, G. Mamin, E. Klimashina, V. Putlayev, L. Kuznetsova, S. Orlinskii The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT. Phys Chem Chem Phys 2015 17(31) 20331-20337	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=119533	ru_RU
dc.description.abstract	Physical Chemistry Chemical Physics	ru_RU
dc.description.abstract	The interplay of oppositely charged substitutions in the structure of hydroxyapatite (HAp) nanopowders is investigated on the atomic level by pulsed electron paramagnetic resonance (EPR) technique and ab initio density functional theory calculations. Benefits of EPR to determine Mn2+ ions in nano-HAp samples are demonstrated. A simple approach based on the measurements of electron spin relaxation times allowed observing the strong influence of fast-relaxing Mn2+ ions on the relaxation characteristics of the nitrate ions (NO3−/NO32−) incorporated in trace amounts. Based on the results of ab initio calculations, we show the propensity of Mn2+ and NO3−/NO32− to associate within the HAp crystal lattice. This could have a direct impact on the functional properties of the material especially to resorption and ion exchange. Furthermore, such an effect can increase a propensity of undesired impurities to incorporate into the doped nanocrystals.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Manganese	ru_RU
dc.subject	nitrate	ru_RU
dc.subject	EPR	ru_RU
dc.subject	ESR	ru_RU
dc.subject	codoping	ru_RU
dc.title	The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU