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🔋 From Atoms to Cells: First‐Principles Mapping of MXene–TMD Heterostructures for Next‐Generation Metal‐Ion Batteries

📝 این مرور، چارچوبی از اتم تا سلول برای هتروساختارهای MXene-TMD ارائه می‌دهد و توصیفگرهای رابط را برای باتری‌های فلز-یون آینده ترسیم می‌کند.

📚 Journal: Advanced Functional Materials #AdvancedFunctionalMaterials
📅 Date: 2026-10-15
⭐ Review

💡 Novelty & Significance:
This review uniquely maps MXene–TMD heterostructure design from atomic descriptors to cell-level battery performance across seven metal-ion chemistries. Its evidence-graded framework separates DFT from experimental findings, enforcing falsifiability. It identifies critical gaps—oxidation drift, cost parity, weak operando validation—and proposes a roadmap for termination-aware design and thick-electrode benchmarking, advancing practical deployment.

🔗 10.1002/adfm.77744

🏷 MXene-TMD heterostructure · metal-ion battery · DFT · interface engineering · ion diffusion
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