Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight

Author:

Bhamu K. C.12345ORCID,Haque Enamul5678,Praveen C. S.91011412ORCID,Kumar Nandha131415ORCID,Yumnam G.16171819ORCID,Hossain Md. Anwar5678ORCID,Sharma Gautam52034

Affiliation:

1. PMC Division

2. CSIR-National Chemical Laboratory

3. Pune 411008

4. India

5. Department of Physics

6. Mawlana Bhashani Science and Technology University

7. Tangail-1902

8. Bangladesh

9. International School of Photonics

10. Cochin University of Science and Technology

11. Ernakulam

12. Inter University Centre for Nano Materials and Devices

13. The Abdus Salam International Centre for Theoretical Physics

14. 34151 Trieste

15. Italy

16. Department of Physics and Astronomy

17. University of Missouri

18. Columbia

19. USA

20. Indian Institute of Science Education and Research

Abstract

The next-generation indium-based lead-free halide material Cs2InAgCl6 is promising for photovoltaic applications due to its good air stability and non-toxic behavior while it shows good thermoelectric properties when doped with Pb.

Funder

Department of Science and Technology, Ministry of Science and Technology, India

Science and Engineering Research Board

Office of Science

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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