First principles phase di
First principles phase diagram calculation and theoretical investigation of electronic structure properties of $\mathrm{KCuTe_{1-x}Se_{x}}$ for photocathode applications
First principles phase diagram calculation and theoretical investigation of electronic structure properties of $\mathrm{KCuTe_{1-x}Se_{x}}$ for photocathode applications
arXiv:2501.02319v1 Announce Type: new
Abstract: Recent high-throughput studies of copper-based semiconductors have identified potassium-based copper chalcogenides, KCuA (A $in$ Te, Se, S) as optimal light absorbers in photovoltaic and photoelectrochemical devices. In this work, we investigate the a…
