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Issue 12, 2019
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Tin(ii) thiocyanate Sn(NCS)2 – a wide band gap coordination polymer semiconductor with a 2D structure

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Abstract

Semiconductors based on tin(II) show promising hole-transport characteristics due to the 5s electrons that form the valence band. In this paper, we report the synthesis and comprehensive characterization of tin(II) thiocyanate [Sn(NCS)2] and identify it as a novel transparent coordination polymer semiconductor. The single crystal X-ray analysis reveals covalently-bonded 1D polymeric chains that form a 2D structure through Sn–S tetrel bonds. Density functional theory calculations also confirm the importance of the van der Waals interactions between the 2D sheets. Furthermore, we show that the s character of Sn(II) is maintained at the top of the valence band, resulting in dispersed states with a small hole effective mass. The coordination with NCS ligands also leads to a conduction band which is high in energy, giving rise to a wide band gap and excellent transparency in the visible spectrum. This is the first report on the electronic properties of Sn(NCS)2 which highlights the potential of developing new transparent semiconductors based on thiocyanate coordination polymers.

Graphical abstract: Tin(ii) thiocyanate Sn(NCS)2 – a wide band gap coordination polymer semiconductor with a 2D structure

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Supplementary files

Article information


Submitted
05 Dec 2018
Accepted
07 Feb 2019
First published
18 Feb 2019

J. Mater. Chem. C, 2019,7, 3452-3462
Article type
Paper

Tin(II) thiocyanate Sn(NCS)2 – a wide band gap coordination polymer semiconductor with a 2D structure

C. Wechwithayakhlung, D. M. Packwood, J. Chaopaknam, P. Worakajit, S. Ittisanronnachai, N. Chanlek, V. Promarak, K. Kongpatpanich, D. J. Harding and P. Pattanasattayavong, J. Mater. Chem. C, 2019, 7, 3452
DOI: 10.1039/C8TC06150E

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