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Fabrication of Thin Film Silver/Silver Chloride Electrodes with Finely Controlled Single Layer Silver Chloride
Published on: July 1, 2020
Ag6Cl4: the first silver chloride with rare Ag6 clusters from an ab initio study
Mariana Derzsi1,2, Matej Uhliar1, Kamil Tokár1,3
1Advanced Technologies Research Institute, Faculty of Materials Science and Technology in Trnava, Slovak University of Technology in Bratislava, Jána Bottu 8857/25, Trnava 917 24, Slovakia. mariana.derzsi@stuba.sk.
Abstract:
The first diamagnetic semiconducting silver subhalide, Ag6Cl4, featuring rare subvalent Ag6 clusters with 2e--6c bonds, 1D argentophilic d10-d10 intercluster interactions and 3D ionic connectivity ensured by Cl atoms has been predicted employing Density Functional Theory. Ag6Cl4 carries all unique features of Ag+ so far observed only in selected metal-rich oxides and as such represents an important addition to the discussion of the special bonding properties of silver with a filled d10-shell. Having appreciable formation enthalpy and dynamical stability, Ag6Cl4 should be in principle possible to synthesize as a metastable phase relative to AgCl.
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