Ontology highlight
ABSTRACT:
SUBMITTER: Xue B
PROVIDER: S-EPMC11312968 | biostudies-literature | 2024 Aug
REPOSITORIES: biostudies-literature
Materials (Basel, Switzerland) 20240802 15
A new two-dimensional (2D) non-MXene transition metal carbide, Mo<sub>3</sub>C<sub>2</sub>, was found using the USPEX code. Comprehensive first-principles calculations show that the Mo<sub>3</sub>C<sub>2</sub> monolayer exhibits thermal, dynamic, and mechanical stability, which can ensure excellent durability in practical applications. The optimized structures of Li<i><sub>x</sub></i>@(3×3)-Mo<sub>3</sub>C<sub>2</sub> (<i>x</i> = 1-36) and Na<i><sub>x</sub></i>@(3×3)-Mo<sub>3</sub>C<sub>2</sub> ...[more]