2 papers
cond-mat.mtrl-sci2024
Two-dimensional MnBX monolayer as promising anode with record-high capacity and fast diffusion for Na-ion battery
Yue Kuai, Changcheng Chen, Pengfei Lu
Based on the group structure search method of first principles, MnB, MnB2, and MnB6 monolayer two-dimensional systems were designed and their structure, stability, electronic prope…
cond-mat.mtrl-sci2024
First-Principles Study Lead-Free Halide Double Perovskite Cs2RhAgX6 and Cs2IrAgX6 (X = Cl, Br and I)
Yue Kuai, Changcheng Chen, Pengfei Lu
In contrast to lead-based perovskites, double perovskites have attracted considerable interest due to their ability to modulate photovoltaic properties and high stability through e…