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Lithium Intercalation into the Tetradymite‐type Selenides Sulfides Bi 2 Se 3‐x S x
Author(s) -
Bludská J.,
Jakubec I.,
Bezdićka P.,
Karamazov S.,
Lošťák P.
Publication year - 1996
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170310403
Subject(s) - intercalation (chemistry) , chemistry , van der waals force , crystallography , selenium , charge density , sulfur , chemical bond , lattice (music) , quantum chemical , inorganic chemistry , molecule , physics , organic chemistry , quantum mechanics , acoustics
Abstract The reaction rate of Li intercalation into Bi 2 Se 3−x S x single crystals (x = 0, 0.025 and 0.05) increases with an increasing sulfur content in the crystals. This effect has been explained qualitatively by a change in the bond polarity in the Bi 2 Se 3 due to the substitution of selenium atoms by sulfur atoms. This substitution results in a change in the electron density distribution and thus also in the width of the van der Waals gap between the structural layers, responsible for the course of intercalation. This explanation is supported by a quantum‐chemical calculation of the charges on the atoms of the Bi 2 Se 3−x S x lattice manifesting and increase in the negative charge on Se atoms with an increasing value of x.