Coherent 3D Nanostructure of γ-Al2O3: Simulation of Whole X-Ray Powder Diffraction Pattern | Sciact - CRIS-система Института катализа

Coherent 3D Nanostructure of γ-Al2O3: Simulation of Whole X-Ray Powder Diffraction Pattern Научная публикация

Журнал

Journal of Solid State Chemistry
ISSN: 0022-4596 , E-ISSN: 1095-726X

Вых. Данные

Год: 2017, Том: 246, Страницы: 284-292 Страниц : 8 DOI: 10.1016/j.jssc.2016.11.032

Ключевые слова

3D nanostructure, Debye Scattering Equation, Gamma-alumina, Planar defects, XRD

Авторы

Pakharukova V.P. ^1,2,3 , Yatsenko D.A. ^1,2 , Gerasimov E.Yu. ^1,2,3 , Shalygin A.S. ^1,2,3 , Martyanov O.N. ^1,2,3 , Tsybulya S.V. ^1,2,3

Организации

1	Boreskov Institute of Catalysis SB RAS, Pr. Lavrentieva 5, 630090 Novosibirsk, Russia
2	Novosibirsk State University, Pirogova Street 2, 630090 Novosibirsk, Russia
3	Research and Educational Center for Energy Efficient Catalysis, Novosibirsk State University, Novosibirsk 630090, Russia

Информация о финансировании (2)

1	Фонд «Сколково»	3 от 25.12.2014
2	Российский научный фонд	14-23-00037

The structure and nanostructure features of nanocrystalline γ-Al2O3 obtained by dehydration of boehmite with anisotropic platelet-shaped particles were investigated. The original models of 3D coherent nanostructure of γ-Al2O3 were constructed. The models of nanostructured γ-Al2O3 particles were first confirmed by a direct simulation of powder X–Ray diffraction (XRD) patterns using the Debye Scattering Equation (DSE) with assistance of high-resolution transmission electron microscopy (HRTEM) study. The average crystal structure of γ-Al2O3 was shown to be tetragonally distorted. The experimental results revealed that thin γ-Al2O3 platelets were heterogeneous on a nanometer scale and nanometer-sized building blocks were separated by partially coherent interfaces. The XRD simulation results showed that a specific packing of the primary crystalline blocks in the nanostructured γ-Al2O3 particles with formation of planar defects on {001}, {100}, and {101} planes nicely accounted for pronounced diffuse scattering, anisotropic peak broadening and peak shifts in the experimental XRD pattern. The identified planar defects in cation sublattice seem to be described as filling cation non-spinel sites in existing crystallographic models of γ-Al2O3 structure. The overall findings provided an insight into the complex nanostructure, which is intrinsic to the metastable γ-Al2O3 oxide.

Pakharukova V.P. , Yatsenko D.A. , Gerasimov E.Y. , Shalygin A.S. , Martyanov O.N. , Tsybulya S.V.
Coherent 3D Nanostructure of γ-Al2O3: Simulation of Whole X-Ray Powder Diffraction Pattern
Journal of Solid State Chemistry. 2017. V.246. P.284-292. DOI: 10.1016/j.jssc.2016.11.032 WOS Scopus РИНЦ CAPlusCA OpenAlex

Поступила в редакцию:	5 окт. 2016 г.
Принята к публикации:	23 нояб. 2016 г.
Опубликована online:	1 дек. 2016 г.
Опубликована в печати:	1 февр. 2017 г.

Web of science:	WOS:000392363800042
Scopus:	2-s2.0-85001018553
РИНЦ:	29469190
Chemical Abstracts:	2016:2033746
Chemical Abstracts (print):	166:71773
OpenAlex:	W2557798368

БД	Цитирований
Web of science	27
Scopus	30
РИНЦ	32
OpenAlex	31