The role of surface oxygen chemisorption on impurity states and electron localization in n-type PbTe: Ar-protected grinding as a remedy for tripling <i>ZT</i>
O 2 physically adsorbs on defective PbTe, and then activates as the OO bond lengthens. Upon dissociation, one O atom occupies a V Te site. After lattice relaxation, the system stabilizes into a final O Te + V Pb defect complex.
Authors
- Linda Yu
- Vladimir Khovaylo (ORCID: https://orcid.org/0000-0001-7815-100X)
- Xinfeng Tang (ORCID: https://orcid.org/0000-0002-0715-5529)
- Xianli Su (ORCID: https://orcid.org/0000-0003-4428-6461)
- Yi Zhong (ORCID: https://orcid.org/0000-0001-6490-1981)
- Keke Liu (ORCID: https://orcid.org/0009-0000-4572-7690)
- Wei Wei (ORCID: https://orcid.org/0000-0002-6244-3187)
- Qing Zhang (ORCID: https://orcid.org/0000-0002-9151-2727)
- Qingjie Zhang (ORCID: https://orcid.org/0000-0002-5718-263X)
- Shujun Han
- Yingfei Tang
Institutions
- National University of Science and Technology (RU)
- Wuhan University of Technology (CN)
- EY Technologies (United States) (US)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-11-25
- DOI
- https://doi.org/10.1039/d5ta08931j
- Primary Topic
- Advanced Thermoelectric Materials and Devices
- Type
- article
- Field-Weighted Citation Impact
- 0.00