Elastic and Piezoelectric Properties of β-glycine – a Quantum Crystallography View on Intermolecular Interactions and a High-Pressure Phase Transition | Sciact - CRIS-system of Boreskov Institute of Catalysis

Elastic and Piezoelectric Properties of β-glycine – a Quantum Crystallography View on Intermolecular Interactions and a High-Pressure Phase Transition Full article

Journal

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN: 2052-5192 , E-ISSN: 2052-5206

Output data

Year: 2024, Volume: 80, Number: 2, Pages: 51-63 Pages count : 13 DOI: 10.1107/s2052520624000428

Tags

quantum crystallography; structures under extreme conditions; functional materials; phase transitions in materials; hydrogen bonds

Authors

Khainovsky Mark A. ^1,2 , Boldyreva Elena V. ^1,2 , Tsirelson Vladimir G. ³

Affiliations

1	Novosibirsk State University, Pirogova Street 2, Novosibirsk, 630090, Russian Federation
2	Boreskov Institute of Catalysis, Lavrentieva Avenue 5, Novosibirsk, 630090, Russian Federation
3	Quantum Chemistry Department and Mendeleev Scientific Network for Advanced Studies "Green Chemistry for Sustainable Development: from Fundamental Principles to New Materials", Mendeleev University of Chemical Technology, Miusskaya Square 9, Moscow, 125047, Russian Federation

Funding (2)

1	Ministry of Science and Higher Education of the Russian Federation	Приоритет 2030
2	Ministry of Science and Higher Education of the Russian Federation	ГЗ-2024-2028

The effect of hydrostatic compression on the elastic and electronic properties of β-glycine was studied using a quantum crystallography approach. The interrelations between the changes in the microscopic quantum pressure in the electronic continuum, macroscopic compressibility and piezoelectricity were considered. The geometries and energies of hydrogen bonds in the crystal structure of β-glycine were considered as functions of pressure before and after a phase transition into the β′-phase in relation to the mechanism of this phase transition.

Khainovsky M.A. , Boldyreva E.V. , Tsirelson V.G.
Elastic and Piezoelectric Properties of β-glycine – a Quantum Crystallography View on Intermolecular Interactions and a High-Pressure Phase Transition
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2024. V.80. N2. P.51-63. DOI: 10.1107/s2052520624000428 WOS Scopus РИНЦ AN PMID OpenAlex

Submitted:	Nov 24, 2023
Accepted:	Jan 11, 2024
Published print:	Apr 1, 2024

Web of science:	WOS:001208736300001
Scopus:	2-s2.0-85189940978
Elibrary:	66621744
Chemical Abstracts:	2024:857165
PMID:	38335030
OpenAlex:	W4391678770

DB	Citing
OpenAlex	1
Scopus	2
Web of science	2