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2026
- J. Hu, Q. Bai, S. Cai et al. Theoretical insights into hydrazine oxidation on single-atom catalysts enabling efficient electrochemical hydrogen production. Langmuir, 42, 18717–18724, (2026)
- H. Li, L. Lin, X. Guo et al. Electronic structure engineering in MXene SACs: unveiling the role of mixed termination for ORR/OER bifunctionality. Small, 22, e14330, (2026)
- H. Lv, F. Guo, J. Li et al. Reverse reaction pathways for efficient CO2–to–formic acid conversion at Cu2O–Bi2O3 interfaces in ionic liquids. ACS Catalysis, 16, 7633–7645, (2026)
- P. Shi, L. Lin, X. Guo et al. First-principles study on screening diatomic catalysts for electrocatalytic NO reduction on single-layer BAs. Journal of Materials Chemistry A, 14, 9689–9702, (2026)
2025
- J. Hu, W. Ruan, Q. Bai et al. Axial coordination of iron single-atom catalysts on defective graphene for electrocatalytic conversion of Nitric Oxide to Hydroxylamine: a theoretical investigation. Langmuir, 41, 33829–33837, (2025)
- X. Fu, X. Guo, P. Shi et al. Control of CO2 electrocatalysis via modularly customizable graphdiyne. Journal of the American Chemical Society, 147, 42394–42405, (2025)
- K. Xie, Ye. Shen, L. Lin et al. Machine learning-enhanced design of 2D TM3(HXBHYB)@MOF-based single-atom catalysts for efficient oxygen electrocatalysis. The Journal of Physical Chemistry Letters, 16, 9682, (2025)
- Q. Wang, X. Guo, Mo. Lin et al. Protonation and deprotonation of edges in graphene oxide and MXenes as a driving force for actuation in responsive 2D membranes. Nature Communications, 16, 8683, (2025)
- W. Wang, X. Guo, Y. Wang et al. Transformation of CO2 to C2+ alcohols by tailoring the oxygen bonding via Fe-based tandem catalyst. Nature Communications, 16, 7265, (2025)