First Principles Insight into Band Gap Tuning in Bismuth Based Double Perovskites X2NaBiCl6 (x=cs, Rb, K) for Enhanced Optoelectronic and Thermoelectric Properties
Results in Chemistry（2023）
Key words
Double Perovskites,Density Functional Theory (DFT),Quantum ESPRESSO,BoltzTraP, Optoelectronic Properties,Thermoelectric Properties
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