Unlocking the structural, vibrational, electronic, optical and thermoelectric properties of K2X (X=S, Se, Te) monolayers via DFT and ML

Two-dimensional alkali-metal chalcogenides with direct and indirect band gaps are designed for applications in electronics, optoelectronics, thermoelectrics and spintronics through ab-initio methods. Employing the ab-initio structural, electronic, optical and thermoelectric calculations for the seri...

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Bibliographic Details
Main Authors: G. Sneha, R.D. Eithiraj
Format: Article
Language:English
Published: Elsevier 2025-09-01
Series:Results in Engineering
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2590123025018882
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