Effects of strain and thickness on the mechanical, electronic, and optical properties of Cu<sub>2</sub>Te

Zhou, Hangjing; Gao, Lei; He, Shihao; Zhang, Yong; Geng, Jianqun; Lu, Jianchen; Cai, Jinming

doi:10.1039/d3cp04356h

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp04356h

|View full text |Cite

Effects of strain and thickness on the mechanical, electronic, and optical properties of Cu₂Te

Hangjing Zhou,

Lei Gao,

Shihao He

et al.

Abstract: Two-dimensional transition-metal chalcogenides (TMCs) have gained considerable attention because of their exceptional photoelectric properties, finding applications in diverse fields such as photovoltaics, lithium-ion batteries, catalysis, and energy conversion and storage....

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 71 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu₂Te

Bölen,

Deligoz,

Ozisik

2024

Phys. Scr.

View full text Add to dashboard Cite

In this study, we employed density functional theory to investigate the structural, mechanical, dynamical, electronic, and thermal transport properties of 2D Cu2Te in the hexagonal P6/mm structure. Our results demonstrate that this structure is both mechanically and dynamically stable, and has a direct band gap, indicating its potential as a semiconductor. The high Grüneisen parameter value of 2D Cu2Te resulted in a lower lattice thermal conductivity compared to its bulk counterpart due to increased phonon scattering in the 2D structure. Furthermore, we observed that the Seebeck coefficient in 2D Cu2Te is higher in the p-type region, while the electrical conductivity is higher in the n-type region at lower temperatures. Two different approaches were used to calculate the lattice thermal conductivity, and it was found that the thermal conductivity decreases with dimension reduction in Cu2Te. Additionally, ultralow thermal conductivity was observed. Moreover the lattice thermal conductivity plays a dominant role in the thermoelectric performance. The maximum ZT value for 2D Cu2Te was obtained as 1.28 at 700 K. Overall, our results suggest that 2D Cu2Te is a potential new candidate for high thermoelectric performance. 

show abstract

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu₂Te

Bölen,

Deligoz,

Ozisik

2024

Phys. Scr.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Effects of strain and thickness on the mechanical, electronic, and optical properties of Cu₂Te

Abstract: Two-dimensional transition-metal chalcogenides (TMCs) have gained considerable attention because of their exceptional photoelectric properties, finding applications in diverse fields such as photovoltaics, lithium-ion batteries, catalysis, and energy conversion and storage....

Cited by 1 publication

References 71 publications

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu₂Te

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu₂Te

Contact Info

Product

Resources

About

Effects of strain and thickness on the mechanical, electronic, and optical properties of Cu2Te

Abstract: Two-dimensional transition-metal chalcogenides (TMCs) have gained considerable attention because of their exceptional photoelectric properties, finding applications in diverse fields such as photovoltaics, lithium-ion batteries, catalysis, and energy conversion and storage....

Cited by 1 publication

References 71 publications

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu2Te

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu2Te

Contact Info

Product

Resources

About

Effects of strain and thickness on the mechanical, electronic, and optical properties of Cu₂Te

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu₂Te

Intrinsically low lattice thermal conductivity and thermoelectric performance of 2D Cu₂Te