Electronic and Optical Properties of the Recently Synthesized 2D Vivianites (Vivianenes): Insights from First-Principles Calculations

Raphael Benjamim de Oliveira, Bruno Ipaves, Guilherme da Silva Lopes Fabris +5

Vivianite (Fe${}_3$(PO${}_4$)${}_2$8H${}_2$O) is a naturally occurring layered material with significant environmental and technological relevance. This work presents a comprehensive theor…