KFU. Card publication. The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as revealed by pulsed EPR and DFT

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FEDERAL UNIVERSITY

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

Form of presentation

Articles in international journals and collections

Year of publication

2015

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Authors, employees of KFU

Biktagirov Timur Bulatovich, author

Gafurov Marat Revgerovich, author

Mamin Georgiy Vladimirovich, author

Orlinskiy Sergey Borisovich, author

Bibliographic description in the original language

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

Annotation

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.

Keywords

Manganese, nitrate, EPR, ESR, codoping

The name of the journal

Physical Chemistry Chemical Physics

URL

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

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=119533&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Biktagirov Timur Bulatovich	ru_RU
dc.contributor.author	Gafurov Marat Revgerovich	ru_RU
dc.contributor.author	Mamin Georgiy Vladimirovich	ru_RU
dc.contributor.author	Orlinskiy Sergey Borisovich	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/eng/?p_id=119533&p_lang=2	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	Articles in international journals and collections	ru_RU