| Autor: |
Chayanit Wechwithayakhlung, Suttipong Wannapaiboon, Sutassana Na-Phattalung, Phisut Narabadeesuphakorn, Similan Tanjindaprateep, Saran Waiprasoet, Satoshi Horike, Pichaya Pattanasattayavong |
| Rok vydání: |
2021 |
| Popis: |
The solid-state mechanochemical reactions under ambient conditions of CuSCN and Zn(SCN)2 resulted in two novel materials: partially Zn-substituted α-CuSCN and a new phase CuxZny(SCN)x+2y. The reactions take place at the labile S-terminal, and both products show melting and glass transition behaviors. The optical band gap and solid-state ionization potential can be adjusted systematically by adjusting the Cu:Zn ratio. Density functional theory calculations also reveal that the Zn-substituted CuSCN structure features a complementary electronic structure of Cu 3d states at the valence band maximum (VBM) and Zn 4s states at the conduction band minimum (CBM). This work shows a new route to develop semiconductors based on coordination polymers which are becoming technologically relevant for electronic and optoelectronic applications. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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