Mixed-Metal Cu–Zn Thiocyanate Coordination Polymers with Melting Behavior, Glass Transition, and Tunable Electronic Properties
- Chayanit WechwithayakhlungChayanit WechwithayakhlungDepartment of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandInstitute for Integrated Cell-Material Sciences (iCeMS), Institute for Advanced Study, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, JapanMore by Chayanit Wechwithayakhlung,
- Suttipong WannapaiboonSuttipong WannapaiboonSynchrotron Light Research Institute (Public Organization), 111 University Avenue, Muang District, Nakhon Ratchasima 30000, ThailandMore by Suttipong Wannapaiboon,
- Sutassana Na-PhattalungSutassana Na-PhattalungDivision of Physics, School of Science, Walailak University, Nakhon Si Thammarat 80160, ThailandFunctional Materials and Nanotechnology Center of Excellence, Walailak University, Nakhon Si Thammarat 80160, ThailandMore by Sutassana Na-Phattalung,
- Phisut NarabadeesuphakornPhisut NarabadeesuphakornDepartment of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandMore by Phisut Narabadeesuphakorn,
- Similan TanjindaprateepSimilan TanjindaprateepDepartment of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandMore by Similan Tanjindaprateep,
- Saran WaiprasoetSaran WaiprasoetDepartment of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandMore by Saran Waiprasoet,
- Thidarat ImyenThidarat ImyenInstitute for Integrated Cell-Material Sciences (iCeMS), Institute for Advanced Study, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, JapanMore by Thidarat Imyen,
- Satoshi Horike*Satoshi Horike*Email: [email protected]Department of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandInstitute for Integrated Cell-Material Sciences (iCeMS), Institute for Advanced Study, Kyoto University, Yoshida-Honmachi, Sakyo-ku, Kyoto 606-8501, JapanMore by Satoshi Horike, and
- Pichaya Pattanasattayavong*Pichaya Pattanasattayavong*Email: [email protected]Department of Materials Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandResearch Network of NANOTEC-VISTEC on Nanotechnology for Energy, Vidyasirimedhi Institute of Science and Technology (VISTEC), Rayong 21210, ThailandMore by Pichaya Pattanasattayavong
Abstract
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 and Zn 4s states at the conduction band minimum. This work shows a new route to develop semiconductors based on coordination polymers, which are becoming technologically relevant for electronic and optoelectronic applications.
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