Insight into the synergistic adsorption mechanism of a novel biochar-bentonite composite for malachite green removal: A DFT-guided study

Key Points

• The biochar-bentonite composite effectively adsorbs malachite green, enhancing removal efficiency.
• Reaching an adsorption capacity of 97.5 mg/g demonstrates its strong potential for environmental applications.
• DFT-guided analysis explores the interaction mechanisms within the composite for better understanding.
• The findings highlight innovative approaches to malachite green removal, suggesting practical applications in wastewater treatment.