Huitao Fan

A set of one-dimensional covalent organic frameworks (1D-COFs) with tunable electron-withdrawing substituents is used to regulate the adsorption mode of O ₂ and promote a selective one-step 2e ⁻ pathway.

The electrocatalytic CO₂ reduction reaction (CO₂RR) to formic acid offers a promising route for mitigating the greenhouse effect and achieve carbon neutrality. However, designing catalysts with both high activity and high selectivity remains a significant challenge. Herein, we combine density functional theory calculations with pH-dependent microkinetic modeling to systematically investigate CO₂RR on Sn single atoms supported on N-doped carbon nanotubes (Sn@CNT). Encouragingly, the results show that the catalytic activity exhibits a clear curvature dependence, with higher nanotube curvature leading to enhanced CO₂RR performance. Significantly, electronic structure analysis reveals that the upshift of the Sn p-band center strengthens the (Sn p)–(O s) bonding interaction and modulates the (Sn p)–(O p) antibonding interaction, thereby optimizing the adsorption strength of *OCHO and improving catalytic activity. These findings clarify the role of orbital-level regulation in curvature-enhanced catalysis and provide theoretical guidance for the rational design of Sn-based single-atom catalysts through curvature engineering.

Amid increasing fossil energy scarcity, a key solution is using solar energy to split water into hydrogen (H₂). However, single photocatalysts face limitations of low solar utilization rate and rapid carrier recombination, so constructing novel composite photocatalysts is a promising solution. Here, a novel ZnO/UiO‐66‐NH₂@ZnIn₂S₄ (ZUN@ZIS) composite catalyst with twin S‐scheme heterojunction is constructed for the first time, in which ZnIn₂S₄ (ZIS) nanosheets are grown in situ on the surface of ZnO/UiO‐66‐NH₂ (ZUN) rhombic octahedra. Under the irradiation of visible light and without the help of any co‐catalyst, the H₂ evolution rate of the prepared ZUN@ZIS‐20 is 5.05 mmol g⁻¹ h⁻¹, which is 3.7, 2.1 and 46 times higher than that of ZIS, UiO‐66‐NH²/ZIS (UN/ZIS) and ZUN, respectively. Moreover, the synergistic effect of the resulting ZUN@ZIS twin S‐scheme heterojunction facilitates the provision of efficient channels for carrier/mass transfer and ensures structural stability. Various experimental characterizations and theoretical calculations confirm that the twin S‐scheme heterojunction constructed by ZUN and ZIS can facilitate the easy separation and transfer of photogenerated carriers. This study has developed a new idea for the efficient H² evolution of multi‐heterojunction photocatalysts, and provided a valuable reference for the development of H² energy in photocatalysis technology.

Hollow core–shell photocatalyst TAPB-COFZ-30 can effectively photoreduce CO ₂ to CO. This unique photocatalyst is beneficial to promote the separation of photogenerated carriers, reduce the reaction energy barrier, and promote the formation of CO.

This study describes the preparation of ZnMn ₂ O ₄ @ZnIn ₂ S ₄ ball-in-ball hollow microspheres as photocatalysts. Remarkably, the PHE rate of 10% ZnMn ₂ O ₄ @ZnIn ₂ S ₄ can reach 11.12 mmol g ⁻¹ h ⁻¹ , roughly 4.9 times greater than that of pure ZnIn ₂ S ₄ .