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Sep 2026

Phase‐Change‐Induced Dual Electric Fields Over Atomically Bonded MicCu 2 O@Cu‐TCPP Heterojunctions for Synergistic Photocatalysis

Photocatalytic technology is essential for sustainable chemical synthesis but is constrained by charge recombination and thermal accumulation, which reduce quantum efficiency. Although heterojunctions enhance charge separation, conventional systems fail to alleviate thermally enhanced recombination. This study addr...

Yan Gao, Chang'an Wang, Yuan-Jie Zhang et al. · 0 citations
Review Oct 2026

Computational Insights into Catalytic Hydrogenation over M6O8-Node MOFs: From Active-Site Engineering to Data-Driven Catalyst Design

Metal–organic frameworks (MOFs) containing M6O8 secondary building units (SBUs) have attracted considerable attention as hydrogenation catalysts because of their structural robustness, tunable coordination environments, and diverse opportunities for active-site engineering. In recent years, density functional theory...

Wen-Ting Ding, Zuo-Shuai Xi, Shuang-Long Li et al. · 0 citations
Aug 2026

Computational and AI-Assisted Rational Design of MOF-Based Catalysts for DCPD Hydrogenation

Metal–organic frameworks (MOFs) have emerged as versatile platforms for heterogeneous catalysis, owing to their structural tunability, well-defined active sites, and tailorable pore environments. Achieving efficient hydrogenation of complex molecules under mild conditions, however, remains challenging because the cat...

Yi-Fan Zhang, Zuo-Shuai Xi, Zhi-Meng Liu et al. · 0 citations

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