2 papers
cond-mat.mtrl-sci2026
Accelerated Prediction of Surface Stability and Particle Morphology in Ionic Crystals via Electrostatic Screening
Sourav Baiju, Payam Kaghazchi
This work presents a fast and scalable approach for predicting surface stability and equilibrium crystal morphology in ionic materials using electrostatic analysis. The method cons…
cond-mat.mtrl-sci2025
A Semi-Empirical Descriptor for Open Circuit Voltage
Sourav Baiju, Konstantin Köster, Mark Huijben +1
Layered transition metal oxides (TMO) are widely used as cathode materials in Na/Li batteries. The open-circuit voltage (OCV), which determines the energy density (together with ca…