Methodological features of determining the composition of &alpha;-NiSO4&middot;6H2O single crystals activated by low concentration Co2+ ions: laboratory diffractometer and synchrotron

Levko Arbanas; Irina Kaurova; Galina Kuz’micheva; Victor Khrustalev; Vladimir Lazarenko

Previous Article in event

Characterization of the Photophysical properties of carbazole based hole transporting material thin films deposited by physical vapor deposition (PVD)

Next Article in event

Threshold moderation effects: how body length modifies the effect of temperature on parasite abundance

Next Article in session

COMPLEXES OF N, N-DONOR DIHYDRAZONE DERIVATIVE: PERSPECTIVE ON SYNTHESIS, CHARACTERIZATION AND IN-VITRO ANTIMICROBIAL ANTIOXIDANT AND ANTI-INFLAMMATORY EVALUATION

Methodological features of determining the composition of α-NiSO4·6H2O single crystals activated by low concentration Co2+ ions: laboratory diffractometer and synchrotron

Levko Arbanas

^{1, 2},

Irina Kaurova

^{*

1},

Galina Kuz’micheva

¹,

Victor Khrustalev

²,

Vladimir Lazarenko

^{1, 3}

¹ Scientific educational center “Multi-scale design of materials”, MIREA - Russian Technological University, Moscow, 119454, Russian Federation
² Department of Inorganic Chemistry, Peoples' Friendship University of Russia, Moscow, 117198, Russian Federation
³ Department of Synchrotron and Neutron Radiation, National Research Center «Kurchatov Institute», Moscow, 123182, Russian Federation

Academic Editor: Mimimorena Seggio

Published: 03 December 2025 by MDPI in The 6th International Electronic Conference on Applied Sciences session Nanosciences, Chemistry and Materials Science

Abstract:

Crystal activation is one of the effective methods that allows influencing functional properties by the nature of dopant ions and their concentration. The region of low dopant concentrations, which is not well represented in the literature, is of particular methodological, scientific, and applied interest.

This work aims to establish the distribution of Со²⁺ ions in the growth sectors of large-sized (~80×80×50 mm) α-Ni²⁺SO₄·6H₂O crystals, used as solar-blind UV filters, grown from an aqueous solution with 0.36 (α-NSH:0.36Co), 0.68 (α-NSH:0.68Co), and 1.0 wt. % Со (α-NSH:1.0Co).

The unit cell volume (V, Å³) of macroparts (~0.25×0.25×0.20 mm; Bruker D8 QUEST PHOTON-III) of α-NSH:Со (sp. gr. P4₁2₁2, Z = 4) decreases in the series V₍₁₀₂₎>V₍₀₀₁₎>V₍₁₀₁₎(a-NSH:0.36Со), V₍₁₀₂₎>V₍₁₀₁₎>V₍₀₀₁₎(a-NSH:0.68Со), V₍₁₀₁₎>V₍₁₀₂₎>V₍₀₀₁₎(a-NSH:1.0Со), as well as V₍₀₀₁₎>V₍₁₀₂₎≈V₍₁₀₁₎(a-NSH:1.0Со) for microparts (~0.02×0.02×0.02 mm; “Belok/XSA” beamline, Kurchatov Synchrotron Radiation Source). This change in V, Å³ is caused by a different distribution of Co²⁺ across growth sectors, and for a-NSH:1.0Co, also by different conditions of X-ray experiments. The Co²⁺ content decreases in the series р₍₀₀₁₎>р₍₁₀₁₎>р₍₁₀₂₎(a-NSH:0.36Со; a-NSH:0.68Со), р₍₁₀₁₎>р₍₁₀₂₎>р₍₀₀₁₎(a-NSH:1.0Со) (р, site occupancy). Comparison of these series shows the substitution of Co²⁺ for Ni²⁺ ions, a symbate correlation between V, Å³ and p, p and the D–H and D···A distances, but an antibate correlation between p and the H···A distance for a-NSH:1.0Co.