Computational Screening of Bonding-Controlled Electronic Structures in One-Dimensional Cu/Ag-Based Hybrid Semiconductors
-orbital-dominated band edges, enhanced dispersion, and light-hole effective masses along the 1D chains. Guided by this bonding-driven mechanism, we further identify four Cu-based compounds, which are helpful for tuning light-harvesting properties in low-dimensional hybrid semiconductors.
Authors
- Xi He (ORCID: https://orcid.org/0009-0006-8877-9179)
- Xiaoyu Yang
- Yuanhui Sun
- Zhongwei Liu
Institutions
- Jilin University (CN)
- Suzhou Research Institute (CN)
Publication Details
- Journal
- Materials
- Published
- 2026-03-31
- DOI
- https://doi.org/10.3390/ma19071393
- Primary Topic
- 2D Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- National Science and Technology Major Project