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Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory

Vladimir Yur'evich Osipov 1, 2
Vladimir Yur'evich Osipov
, 
Danil Wladimirovich Boukhvalov 3, 4
Danil Wladimirovich Boukhvalov
, 
Kazuyuki Takai 2
Kazuyuki Takai
10.1016/j.mencom.2020.07.010
Published 2020-06-26
Communication , Volume 30, Issue 4, 436-438
9
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Osipov V. Y., Boukhvalov D. W., Takai K. Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory // Mendeleev Communications. 2020. Vol. 30. No. 4. pp. 436-438.
GOST all authors (up to 50) Copy
Osipov V. Y., Boukhvalov D. W., Takai K. Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory // Mendeleev Communications. 2020. Vol. 30. No. 4. pp. 436-438.
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TY - JOUR
DO - 10.1016/j.mencom.2020.07.010
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.07.010
TI - Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory
T2 - Mendeleev Communications
AU - Osipov, Vladimir Yur'evich
AU - Boukhvalov, Danil Wladimirovich
AU - Takai, Kazuyuki
PY - 2020
DA - 2020/06/26
PB - Mendeleev Communications
SP - 436-438
IS - 4
VL - 30
ER -
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@article{2020_Osipov,
author = {Vladimir Yur'evich Osipov and Danil Wladimirovich Boukhvalov and Kazuyuki Takai},
title = {Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory},
journal = {Mendeleev Communications},
year = {2020},
volume = {30},
publisher = {Mendeleev Communications},
month = {Jun},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.07.010},
number = {4},
pages = {436--438},
doi = {10.1016/j.mencom.2020.07.010}
}
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Osipov, Vladimir Yur'evich, et al. “Gadolinium ion bonding on the surface of carboxylated detonation nanodiamond in terms of magnetochemistry and density functional theory.” Mendeleev Communications, vol. 30, no. 4, Jun. 2020, pp. 436-438. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2020.07.010.

Keywords

density functional theory
detonation nanodiamond
gadolinium ions
low temperatures
magnetization
surface functional groups

Abstract

Gadolinium ions (Gd3+) can be fixed on the surface of 5-nm detonation nanodiamonds with terminal carboxyl and/or hydroxyl surface groups. Magnetization curves measured below the temperature of liquid helium at normal pressure give the amount of Gd3+ ions of about 18 per a 5-nm nanodiamond particle. The corresponding 2D surface density of ions is smaller than that obtained by density functional theory for a single gadolinium atom fixed on the surface of (111) diamond slab with 36 surface carbon sites with up-standing s-bonds by a factor of 2.

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