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Multi-descriptors guided constructing the microenvironment of frustrated Lewis pair bi-active sites in functionalized MOFs toward Sabatier optimal for catalytic hydrogenation
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Unraveling Lewis acid-base sites in defected MOFs for catalyzing dicyclopentadiene hydrogenation via a DFT study and descriptor exploration
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Rational Design of MXene-Supported Single-Atom Catalysts for Electrochemical CO2 Reduction with Tunable Activity and Product Selectivity
Yitong Yin, Zhe Sun, Maohuai Wang, Bo Liao, Shoufu Cao, Hongyu Chen, Siyuan Liu, Zhaojie Wang, Shuxian Wei, Baojun Wei and Xiaoqing Lu
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Enhancing CO2RR Catalytic Activity of Graphene-Boron Nitride Heterostructures Based Single Atom Catalysts through Theoretical Design of Intrinsic Descriptor
Jie Yu, Junyao Chen, Yabing Zeng, Kai Tan and Wei Lin
ACS Appl. Mater. Interfaces, 2025, 17, 63420
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d-electron modulated CO2 electroreduction performance: Insights from T-carbon supported single-atom catalysts
Yang Xu, Chong Wang and Song Liu
Materials Today Chemistry, 2026, 52, 103444
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Transition metal-anchored biphenylene network for electrocatalytic CO2 reduction with highly selective CH4 production
Yang Xu, Chong Wang and Song Liu
International Journal of Hydrogen Energy, 2025, 140, 204
DOI: 10.1016/j.ijhydene.2025.05.247