Rational Design of Two-Dimensional Porous Boron Phosphide as Efficient Cathode Material for Li and Na Ion Batteries: A First-Principles Study

• Published in: Journal of physical chemistry. C Vol. 126; no. 11; pp. 5092 - 5100
• Main Authors: Ghosh, Atish, Pal, Sougata, Sarkar, Pranab
• Format: Journal Article
• Language: English
• Published: American Chemical Society 24.03.2022
• Subjects: C: Energy Conversion and Storage

The search for an efficient electrode material based on 2D materials for Li/Na-ion rechargable batteries is an emerging field of research in the recent times. By employing density functional theory (DFT) based calculations, we herein proposed a porous boron phosphide (p-BP) monolayer having superior...