This article is cited in 9 papers

Communications

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

V. Yu. Osipov^ab, D. W. Boukhvalov^cd, K. Takai<sup>b

a</sup> Ioffe Institute, St. Petersburg, Russian Federation
^b Department of Chemical Science and Technology, Hosei University, Tokyo, Japan
^c Nanjing Forestry University, Nanjing, P. R. China
^d Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, Russian Federation

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.

Keywords: detonation nanodiamond, gadolinium ions, surface functional groups, magnetization, low temperatures, density functional theory.

Language: English

DOI: 10.1016/j.mencom.2020.07.010

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