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Journal of Physical Chemistry C · 2026 · IF 3.4

Ni Single Atoms and Prussian Blue Analogs Comodified Poly(heptazine imide) for Efficient CO2 Photoreduction

Tianyu Tang,Guowei Wang,Yitong Wang,Xin Jiang,Zhijun Li,Cailing Chen,Ziqing Zhang,Liqiang Jing

Poly(heptazine imide) (PHI) has garnered significant attention as a promising material for photocatalytic CO2 reduction. However, its practical application is hindered by limitations stemming from inefficient electron-mediated reduction processes and sluggish hole-driven oxidation kinetics. Herein, the Ni single atoms and hollow CoFe Prussian blue analogs were precisely decorated on PHI (CoFePBA@Ni-PHI) through a two-step calcination and in situ ion exchange-growth conversion process. The optimized CoFePBA@Ni-PHI photocatalyst demonstrates a superior CO evolution rate of 41.3 μmol g–1 h–1 in pure water without sacrificial agents, representing a 4.5-fold and 5.7-fold enhancement compared to pristine PHI and g-C3N4, respectively. The enhanced photocatalytic performance is primarily ascribed to the synergistic redox dual-site modification, where Ni single atoms serve as electron extractors to promote CO2 reduction, while hollow CoFePBA functions as hole-trapping sites to facilitate water oxidation, thereby collectively accelerating the overall photocatalytic process. This work elucidates the critical role of dual redox site engineering in photocatalytic systems and provides a rational design strategy for constructing efficient photocatalysts toward solar-driven fuel production.

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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2026 · IF 3.9

Monolithic NiO/WO3-Loaded Ceramic Fibers Enable Efficient CO2–H2O Conversion via Concentrated Photothermal Coupling

Yiqin Zhang,Ruoxuan Peng,Hongyang Zhang,Shengnan Lan,Jiancheng Zhou,Naixu Li

The intense photothermal coupling effect generated by concentrating light through Fresnel lenses can efficiently convert CO2 into high-value-added chemicals. However, the extreme high-temperature environment resulting from high photon flux simultaneously causes the agglomeration, sintering, and oxidative deactivation of catalyst powders, thereby limiting the large-scale application of concentrated photocatalytic technology. Here, we constructed a high-temperature-resistant monolithic catalyst by in situ growth of NiO/WO3 nanosheets on the surface of the silica–alumina fiber material (denoted as NiO/WO3/SAF) and applied it to concentrated solar-driven CO2–H2O catalytic conversion. During the concentrated photocatalytic process, NiO/WO3/SAF exhibited superior cycling stability compared to NiO/WO3 powder, which could be attributed to the excellent dispersion, stable anchoring, and thermal insulation effects provided by the SAF support for NiO/WO3. Furthermore, under the assistance of oxygen vacancy-induced photothermal effect in WO3, the high-energy and high-density charge carriers generated by concentrated light facilitated CO2 reduction at electron-rich NiO active sites. Consequently, under concentrated irradiation of 4.0 W·cm–2, NiO/WO3/SAF achieved a solar-to-chemical energy conversion efficiency of 0.37‰, with CO and CH4 yields of 461.7 μmol·g–1·h–1 and 125.7 μmol·g–1·h–1, respectively. This work provides a valuable strategy for the industrial development of solar-driven CO2 utilization.

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CATALYSIS LETTERS · 2026 ·Vol. 156 ·期 6 ·156 · IF 2.5

Doping S Tailors the Electronic Structure of CuBiOx Catalyst for Selective CO2 Electroreduction to CO

Tao Kun,Zhao Chao,Yu Wenya,Hu Shengye,Xue Hui,Zhang Mengmeng M.

Converting CO 2 into valuable chemicals is a sustainable way to address the energy and environmental crisis, yet achieving high selectivity toward CO remains challenging. Here, a S-doped copper-bismuth oxide (S-CuBiO x ) catalyst with a hierarchical structure was synthesized via a facile solution method toward selectively producing CO from CO 2 . The prepared S-CuBiO x exhibits a 91.3% CO Faradic efficiency at −0.9 V RHE in an H-type cell with 0.5 M KHCO 3 solution, delivering a 3.8-fold enhancement compared to the undoped CuBiO x , while decreasing the H 2 and HCOOH by-products to 2.6% and 4.5%, respectively. The doped-S can be responsible for the excellent CO selectivity, namely, the S dopant induces S-M-O (M = Cu or Bi) bond formation and tunes the local electronic structure of S-CuBiO x , thus benefiting *COOH formation/stabilization and accelerating the reaction kinetics toward CO. This work provides a rational design strategy for steering CO 2 RR selectivity toward CO via non-metal heteroatom doping in bimetallic oxide systems. Graphical The alternative text for this image may have been generated using AI.

✓ 已验证 DOI 高影响因子
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY · 2026 · IF 4.6

Uncovering the electrolyte-driven dynamic reconstruction of Sn-MOF toward exceptional CO2-to-formate conversion

Bingshuang Li,Xin Li,Xiaoxi Huang

The Sn-MOF reconstructed into a SnO nanoflower structure only upon electrolyte immersion. • The SnO nanoflower achieves >92% formate Faradaic efficiency in both H-cell and flow cell. • Its abundant grain boundaries and edge sites enhance the adsorption and stabilization of the *OCHO intermediate. • The nanoflower morphology remains stable during CO 2 reduction, contributing to sustained catalytic performance. Sn-based materials are promising for electrochemical CO 2 reduction to formate, yet the real active species and structural evolution under operating conditions remain elusive. Here, we track the spontaneous, potential-independent reconstruction of a Sn-terephthalic acid framework (Sn-PTA) in KHCO 3 electrolyte, revealing a two-stage transformation that dictates catalytic performance. Initially, the MOF decomposes into nanoflower-like SnO assemblies (Sn-PTA-180), characterized by abundant grain boundaries and edge sites that maximize active surface exposure. This metastable intermediate exhibits superior intrinsic activity, achieving a 92.7% formate Faradaic efficiency (FE) at 38.9 mA cm −2 in an H-cell and maintains 92.6% FE at 200 mA cm −2 in a flow cell. In situ ATR-SEIRAS correlates this performance to the optimized adsorption and stabilization of the *OCHO intermediate on the unique nanoflower architecture. Furthermore, we demonstrate that under cathodic bias, SnO undergoes a phase transition to metallic Sn while perfectly inheriting the advantageous morphology. This work elucidates electrolyte-driven MOF reconstruction as a powerful in situ route to engineer catalytically active interfaces, offering a new paradigm for designing high-performance pre-catalysts for efficient CO 2 -to-formate conversion. Download: Download high-res image (362KB) Download: Download full-size image

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Matter · 2026 · IF 15.7

Periodic and tailorable pentanuclear metal catalysts enabled by cyano-bridged metal frameworks for CO2 photoreduction

Shuai Li,Feng Liu,Qiangqiang Qiao,Binghui Yu,Zhihuang Li,Fan Gu,Shibao Liu,Zixuan Li,Juxin Yue,Yujing Liu,Huadong Yuan,Jianming Luo,Yao Wang,Shihui Zou,Peng Shi,Sibo Wang,Xinyong Tao,Jianwei Nai

Multinuclear metal catalysts (MMCs) have attracted considerable interest for photocatalytic CO 2 reduction due to their unique structures and enhanced catalytic performance. Nevertheless, the poorly precise structures, limited metal tunability, and low metal content hinder further advancement of MMCs. Herein, we report a facile synthesis of structurally precise and tailorable pentanuclear metal catalysts (PMCs), in which the cyano groups link the metal nuclei. Among the PMCs, the periodically arranged PtNi 4 PMC exhibits the highest photocatalytic CO production activity of 35.82 mmol h −1 g −1 and a high selectivity of 98.66%. Experimental and theoretical results reveal that the enhanced catalytic activity mainly originates from enhanced charge separation and transfer efficiency, abundant active sites, and optimal synergistic effect between the active Pt nucleus and the four adjacent auxiliary Ni nuclei. This work provides an ideal material platform to explore precise structure-performance relationships for the MMCs and thus obtain excellent catalytic performance.

✓ 已验证 DOI 高影响因子
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MOLECULES · 2026 ·Vol. 31 ·期 13 ·2304 · IF 5.1

Cu/TiO2 Derived from Cu-Doped MIL-125 for Enhanced Photocatalytic CO2-to-CH4 Conversion

Haopeng Cui,Zhiying Li,Siyu Huang,Tianyi Zhang,Xiaodong Zhang,Zhongxiao Zhang,Jianqiu Lei,Ning Liu

Photocatalytic CO2reduction into CH4is a promising route for solar fuel production, but its efficiency is still limited by poor charge separation, insufficient CO2activation, and sluggish multi-electron transfer kinetics. Herein, Cu-modified TiO2(Cu/TiO2) was prepared by calcining a Cu-modified defective MIL-125(Ti) precursor, denoted as Cu-MIL-125, through a temperature-controlled calcination strategy. The effects of calcination temperature on the structural evolution, surface chemical states, interfacial charge transport, and CO2photoreduction performance were examined. These results indicated that the Cu/TiO2was successfully prepared, while the crystallinity, porous structure, and interfacial electronic properties of Cu/TiO2were strongly dependent on the calcination temperature. Among the obtained samples, the Cu/TiO2sample obtained by calcining Cu-MIL-125 at 450 °C (450 Cu/TiO2) exhibited the highest CH4formation rate, reaching 15.90 μmol g−1h−1, corresponding to an approximately 9.8-fold enhancement over TiO2calcined from defective MIL-125(Ti) at 450 °C, together with a high CH4selectivity of 93.05%. Control experiments and13CO2isotope-labeling tests confirmed that the detected carbon-containing products were generated from CO2under photocatalytic conditions. In situ diffuse reflectance infrared Fourier transform spectroscopy measurements further revealed the formation of carbonate, bicarbonate and hydrogenated carbon-containing intermediates during the reaction. This work offers a practical route for constructing metal–organic framework-derived Cu/TiO2photocatalysts for selective CH4production from CO2.

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2026 · IF 5.4

Co-loaded CNT having adjustable Co2+/Co3+ ratio endows PLLA bone scaffold with ROS-scavenging

Feng Yang,Mengling Jiang,Linfeng Fan,Hao Pan,Pei Feng

Co-loaded CNT with high Co 2+ content of 61.07% exhibited enhanced nanozyme activity. • P2 possessed a safe Co-ion release content far below the threshold of 20 ppm. • P2 exhibited good well-rounded properties and excellent anti-inflammatory activity. Excessive reactive oxygen specie (ROS) is not conducive to bone repair, which is prone to generate during the initial hematoma inflammatory phase following poly( L -lactic acid) (PLLA) bone scaffold implantation and the potential inflammation caused by its acidic degradation products. This study proposed introducing cobalt (Co)-based nanozyme into the PLLA scaffold, and focused on improving the dispersion between nanozyme and the PLLA matrix as well as enhancing the activity of nanozyme itself for efficiently scavenging ROS. The Co was loaded on the surface of carbon nanotube (CNT) for achieving uniform dispersion, and then calcined under different atmospheres for enhancing nanozyme activity via regulating the Co 2+ /Co 3+ ratio and optimizing the electronic structure. It was found that the nanozyme that was calcined in an N 2 atmosphere followed by phosphorylation exhibited a superior ROS-scavenging ability, which was attributed to its high Co 2+ content of 61.07% that facilitating the redox cycling and the optimization of its electronic structure by P doping. As a result, the composite scaffold (P2) at a nanozyme loading of 2 wt% possessed superior intracellular ROS-scavenging ability and downregulation of key inflammatory cytokines compared to the pure PLLA scaffold. It also possessed good cytocompatibility for cell adhesion and proliferation, and exhibited upregulated expression of the pro-angiogenic VEGF factor. Download: Download high-res image (228KB) Download: Download full-size image Co-based nanozyme was engineered by promoting dispersion and optimizing the Co 2+ /Co 3+ ratio for highly efficient SOD and CAT, and was used to endow the PLLA bone scaffold with good ROS-scavenging and cytocompatibility.

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CHEMICAL ENGINEERING JOURNAL · 2026 · IF 12.5

Orbital symmetry matching-mediated synergistic N2/CO2 activation on Cu-Co3O4 for photocatalytic urea synthesis

Meng Qiao,Yan-Fei Mu,Ji-Li Zhou,Su-Xian Yuan,Meng-Ran Zhang,Min Zhang,Tong-Bu Lu

Cu optimizes Co 3 O 4 d-orbital occupancy for symmetry-matched interactions with N 2 and CO 2 . • Cu-Co 3 O 4 reduces C − N coupling barrier from 2.34 to 1.19 eV. • Cu-Co 3 O 4 exhibits superior performance, ranking among the highest reported for photocatalytic urea synthesis. Photocatalytic CO 2 /N 2 co-reduction to urea is a green route for carbon‑nitrogen cycle closure, yet it is severely limited by the disparate orbital symmetry requirements of CO 2 /N 2 that impede synergistic activation on a single catalyst. Herein, Co 3 O 4 is doped with Fe/Cu/Ni to tailor the d -orbital configuration of its active sites, and Cu-Co 3 O 4 emerges as the optimal catalyst. It delivers a high urea yield of 25 μmol g −1  h −1 and a solar-to-urea conversion efficiency of nearly 0.035%, which ranks among the top efficiencies for photocatalytic urea synthesis. In situ diffuse reflectance infrared Fourier transform spectroscopy identifies *N 2 CO as the key reaction intermediate, while projected density of states calculations reveal that Cu 2+ ( d 9 ) optimizes d orbital occupation of catalyst to realize symmetry-matched adsorption of CO 2 /N 2 and strengthen orbital coupling. Density functional theory calculations further demonstrate that *N 2 CO formation is the rate-limiting step for urea synthesis, with Cu-Co 3 O 4 lowering the C − N coupling barrier to 1.19 eV (vs. 2.34 eV for pristine Co 3 O 4 ). This work establishes orbital symmetry matching between the d -orbitals of catalytically active sites and the π orbitals of reactants as a critical determinant for the selectivity of multi-molecule co-reduction reactions, thereby providing a general design principle for the development of high-performance photocatalysts. A Cu-doped Co 3 O 4 photocatalyst is rationally engineered, where incorporated Cu 2+ ( d 9 ) optimizes the occupation of active d xy / d xz orbitals in Co 3 O 4 , enabling symmetry-matched interactions with CO 2 and N 2 and reducing the C − N coupling barrier. This catalyst achieves a high urea yield of 25 μmol g −1  h −1 and a solar-to-urea conversion efficiency of ~0.035%, ranking among the top-performing systems for photocatalytic urea synthesis to date. Download: Download high-res image (115KB) Download: Download full-size image

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APPLIED CATALYSIS B-ENVIRONMENTAL · 2026 · IF 19.7

Regulating hot-carrier dynamics via indium anchoring for highly stable CO2 photoreduction on CsPbBr3 nanocrystals

Fengyi Zhong,Chenyu Du,Jianping Sheng,Ye He,Majid Moghadam,Fan Dong,Yanjuan Sun

Hot carrier-lattice coupling driven by Br migration defects is identified as the intrinsic origin of CsPbBr 3 PNCs instability. • An In-anchoring strategy suppresses Br migration, passivates defects, and prolongs the hot carrier lifetime by ∼99%. • In-anchored CsPbBr 3 PNCs achieves a cumulative CO yield of 2.2 mmol g –1 over 60 h , 14.85 times higher than CsPbBr 3 PNCs. CsPbBr 3 perovskite nanocrystals (PNCs) demonstrate exceptional photocatalytic potential in CO 2 conversion through superior light harvesting and multi-exciton generation. However, their practical application is fundamentally hindered by structural instability that compromises carrier utilization. This study, using femtosecond transient absorption spectroscopy and temperature-dependent photoluminescence, reveals that dynamic coupling between hot carriers and lattice vibrations drives structural degradation via localized phonon excitations. To address this, we engineered indium (In)-anchored CsPbBr 3 PNCs by targeted modification of surface Pb centers. The In-anchoring passivates defect-associated empty p-orbitals while prolonging the hot carrier lifetime by 98.86%. Furthermore, the introduced In ions induce electronic localization, which suppresses phonon-driven lattice vibrations. As a result, charge separation and transport are dramatically enhanced, leading to a significant improvement in both CO 2 reduction activity and stability. In contrast to CsPbBr 3 PNCs, which completely deactivate within 20 h, In-anchored CsPbBr 3 PNCs maintain stability over long-term operation for up to 60 h, while simultaneously exhibiting a 14.85-fold enhancement in CO yield. This study establishes a fundamental strategy for stabilizing perovskite photocatalysts by regulating hot carrier-lattice interactions, offering new insights into the design of high-performance CO 2 reduction systems. Download: Download high-res image (188KB) Download: Download full-size image This work establishes an indium-anchoring strategy that regulates carrier-lattice interactions, suppresses defect-induced degradation, prolongs hot-carrier lifetime, and simultaneously enhances the photocatalytic activity and stability of CsPbBr 3 perovskite nanocrystals.

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JOURNAL OF RARE EARTHS · 2026 · IF 9.6

Interfacial Ce/Cu engineering enables selectivity switching between methane and C2 products during CO2 electroreduction

Siqi Liu,Zhaoliang Wu,Yuanrui Li,Jun Yu,Lei Zhang

Electrocatalytic CO 2 reduction reaction (CO 2 RR) provides a sustainable route for transforming CO 2 into value-added chemicals, yet achieving controllable selectivity remains a major challenge. Here, we constructed Ce-rich and Cu-rich Ce-Cu interfaces (CeCu 0.55 O x and CeCu 2.67 O x ) to elucidate the interfacial regulation of CO 2 RR pathways. CeCu 0.55 O x delivers a CH 4 Faradaic efficiency (FE) of 45% at –400 mA/cm 2 , whereas CeCu 2.67 O x achieves over 50% FE toward C 2 products. Operando Raman measurements reveal comparable Cu oxidation states during CO 2 RR, indicating that interfacial composition rather than Cu valence dominates selectivity. The Ce-rich interface accelerates H 2 O dissociation, increasing *H coverage and promoting sequential hydrogenation of *CO to CH 4 . In contrast, the Cu-rich interface strengthens *CO adsorption and increases its surface coverage, steering C−C coupling toward *OC-CO and enabling C 2 product formation. This work clarifies how tuning the Ce/Cu ratio modulates *H and *CO intermediate coverages, providing a mechanistic basis for designing oxide-metal interfaces with programmable CO 2 RR selectivity.

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ACS Catalysis · 2026 · IF 13.6

Synergizing Surface Frustrated Lewis Pairs with Ru Nanoheaters for Sacrificial-Agent-Free Photocatalytic CO2 Reduction

Yong Chen,Wenlong Wang,Rengui Li,Haoyang Yuan,Hao Ren,Jining Zhang,Jing Zhang

Photocatalytic CO2 reduction using H2O as the sole electron and proton source represents the ultimate challenge in artificial photosynthesis, yet it is severely hindered by the sluggish kinetics of CO2 adsorption and activation processes. Herein, we report a rationally designed photocatalyst comprising Ru-decorated In2O3 nanorods enriched with surface hydroxyl groups and oxygen vacancies (In2O3−x(OH)y), which drives the conversion of CO2 and H2O into CO and CH4 without sacrificial agents. Atomic-level structural design creates surface frustrated Lewis pairs (FLPs) through the synergy between coordinately unsaturated In sites (Lewis acids) and adjacent In−OH groups (Lewis bases). These FLP sites drastically enhance CO2 adsorption and facilitate its polarization and activation. Meanwhile, Ru nanoparticles not only facilitate electron extraction from the In2O3−x(OH)y nanorods but also function as “nanoheaters” that rapidly raise the local temperature to accelerate water vaporization. The synergistic cooperation between FLPs and Ru cocatalysts fosters balanced and efficient redox kinetics. Consequently, the optimized photocatalyst achieves markedly enhanced CO and CH4 production rates that are 40 and 31 times higher than those of pristine In2O3, respectively, while achieving stoichiometric O2 evolution. This work underscores the pivotal role of surface FLPs and provides a fundamental principle for constructing efficient sacrificial-agent-free photocatalytic systems.

CAS / MDL: 22519-64-8
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INORGANIC CHEMISTRY · 2026 · IF 4.6

Regulating the Electronic Structures of Co Sites in Salen Cobalt Complexes for Boosting CO2 Photoreduction

Xue-Rong Dou,Xin-Yue Zheng,Yun-Nan Gong,Di-Chang Zhong,Tong-Bu Lu

The performance of photocatalytic CO2 reduction is highly dependent on the electronic structures of active sites, while achieving delicate regulation of electronic states to enhance the catalytic performance remains challenging. Herein, we designed and synthesized four salen cobalt complexes with different functional groups in organic ligands (Co-X, X = –NO2, −COOMe, -tBu, and -OMe) for photocatalytic CO2 reduction. Impressively, by changing the -X groups of the organic ligands, the electronic structures of Co ions in Co-X can be regulated, which results in obviously different photocatalytic performance for the reduction of CO2 to CO, following the -X group sequence of –NO2 > −COOMe > -tBu > -OMe. The optimized Co–NO2 with the strongest electron-withdrawing ability of the –NO2 group achieves the largest turnover number (TON) and turnover frequency (TOF) values of 5727 and 0.32 s–1, respectively, 4.5 times higher than those of the Co–OMe. Theoretical calculations reveal that the spin populations of Co in Co–NO2 are the largest among the four cobalt complexes, which is the most beneficial for absorbing and activating the CO2 molecule, thereby accounting for its highest photocatalytic activity.

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