Machine learning-guided discovery of multifunctional Nb <sub>2</sub> CX <sub>2</sub> MXenes (X = S, Se, Te): insights into mechanical properties and thermal conductivity
We have investigated the elastic properties and lattice thermal conductivity of Nb 2 CX 2 MXenes using MLFF. MLFF outperforms DFT in efficiency, revealing how surface functionalization tunes thermal transport for next-gen energy applications.
Authors
- S. Jana (ORCID: https://orcid.org/0000-0001-5772-7022)
- Adisak Boonchun (ORCID: https://orcid.org/0000-0001-6527-4537)
- Thanasee Thanasarnsurapong (ORCID: https://orcid.org/0000-0003-0263-2709)
Institutions
- Kasetsart University (TH)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d4tc05430j
- Citations
- 4
- Primary Topic
- MXene and MAX Phase Materials
- Type
- article
- Field-Weighted Citation Impact
- 2.07
Funders
- Thailand Toray Science Foundation
- Kasetsart University
- National Research Council of Thailand
- Kasetsart University Research and Development Institute