Multicentered <i>p–s–p*</i> Antibonding Interaction Induces Strong Anharmonicity and High Thermoelectric Performance in Complex Metal Chalcohalide Tl <b> <sub>5</sub> </b> Te <b> <sub>2</sub> </b> I

A Anustoop Das (New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India) R R Bhuvaneswari (Theoretical Sciences Unit, and School of Advanced Materials and International Centre for Materials Science) S Subarna Das (New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India) V Vaishali Taneja (New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India) P Priyanka Garg (New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India) U Umesh V. Waghmare (Theoretical Sciences Unit, and School of Advanced Materials and International Centre for Materials Science) K Kanishka Biswas (New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India)

Article Details

Volume / Issue Vol. 148, Issue 27
Published July 15, 2026
Pages 29537-29547
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (7)

A

Anustoop Das

New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India

R

R Bhuvaneswari

Theoretical Sciences Unit, and School of Advanced Materials and International Centre for Materials Science

S

Subarna Das

New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India

V

Vaishali Taneja

New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India

P

Priyanka Garg

New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India

U

Umesh V. Waghmare

Theoretical Sciences Unit, and School of Advanced Materials and International Centre for Materials Science

K

Kanishka Biswas

New Chemistry Unit, and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India