Computational Insights into Ternary Bimetallic Oxy-Chalcogenides | Synapse
February 12, 2026
Computational Insights into Ternary Bimetallic Oxy-Chalcogenides
Key Points
The aim is to explore the optoelectronic properties of various ternary bimetallic oxy-chalcogenides.
Systematic investigation of 36 ternary bimetallic compounds
Analysis of M(IB)M'(IIIA)X₂ structure
Utilization of computational techniques for property assessment
Identified varying optoelectronic properties across different compositions
Highlighted promising candidates for potential applications in electronics
Demonstrated correlation between composition and electronic structure
Abstract
This study systematically investigates the optoelectronic properties of 36 ternary bimetallic compounds M(IB)M'(IIIA)X₂ (M = Ag, Au, Cu; M' = Al, Ga, In; X = O, S, Se, Te) using...