Transition metal enhanced black phosphorus for early thermal runaway gas detection of lithium-ion batteries: A theoretical study

Lithium-ion batteries have seen widespread use, bringing the issue of thermal runaway into sharp focus. Thermal runaway can be diagnosed by the characteristic gases produced (CO₂, H₂, CO, CH₄, C₂H₄, C₂H₆). Black phosphorus (BP) with corrugated plane was utilized as the base material, enhancing its chemical activity with transition metals (Au, Ag, Pt, Pd). The four transition metal-enhanced BPs can selectively adsorb CO and C₂H₄ with different response characteristics, which can be used to identify CO and C₂H₄. This study provides theoretical guidance for the engineering application of transition metal-enhanced BP in monitoring thermal runaway gases in lithium-ion batteries.