Exploring the structural stability, hydrogen storage capacity, electronic and optical properties of K2LiXH6 (X = Si, Ge, Sn) hydrides: A first-principles study | Synapse
March 3, 2026
Exploring the structural stability, hydrogen storage capacity, electronic and optical properties of K2LiXH6 (X = Si, Ge, Sn) hydrides: A first-principles study
Key Points
Hydrogen storage capacity is analyzed, indicating significant potential in K2LiXH6 hydrides.
The electronic properties exhibit favorable characteristics, with K2LiSiH6 showing notable conductivity.
Optical properties are evaluated, showing promising features for light absorption across all hydride variants.
First-principles study allows detailed insight into structural stability, highlighting the reliability of these materials.