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Traditional catalytic techniques often encounter obstacles in the search for sustainable solutions for converting CO2 into value-added products because of their high energy consumption and expensive catalysts. Here, we introduce a contact-electro-catalysis approach for CO2 reduction reaction, achieving a CO Faradaic efficiency of 96.24%. The contact-electro-catalysis is driven by a triboelectric nanogenerator consisting of electrospun polyvinylidene fluoride loaded with single Cu atoms-anchored polymeric carbon nitride (Cu-PCN) catalysts and quaternized cellulose nanofibers (CNF). Mechanistic investigation reveals that the single Cu atoms on Cu-PCN can effectively enrich electrons during contact electrification, facilitating electron transfer upon their contact with CO2 adsorbed on quaternized CNF. Furthermore, the strong adsorption of CO2 on quaternized CNF allows efficient CO2 capture at low concentrations, thus enabling the CO2 reduction reaction in the ambient air. Compared to the state-of-the-art air-based CO2 reduction technologies, contact-electro-catalysis achieves a superior CO yield of 33 μmol g−1 h−1. This technique provides a solution for reducing airborne CO2 emissions while advancing chemical sustainability strategy. Traditional catalytic techniques often encounter obstacles in the search for sustainable solutions for converting CO2 into value-added products because of their high energy consumption and expensive catalysts. Here, we introduce a contact-electro-catalysis approach for CO2 reduction reaction, achieving CO Faradaic efficiency of 96.24%. [ABSTRACT FROM AUTHOR]

Electrocatalytic carbon dioxide reduction (CO 2 RR) technology enables the conversion of excessive CO 2 into high-value fuels and chemicals, thereby mitigating atmospheric CO 2 concentrations and addressing energy scarcity. Single-atom alloys (SAAs) possess the potential to enhance the CO 2 RR performance by full utilization of atoms and breaking linear scaling relationships. However, quickly screening high-performance metal portfolios of SAAs remains a formidable challenge. In this study, we proposed an active learning (AL) framework to screen high-performance catalysts for CO 2 RR to yield fuels such as CH 4 and CH 3 OH. After four rounds of AL iterations, the ML model attained optimal prediction performance with the test set R 2 of approximately 0.94 and successful prediction was achieved for the binding free energy of *CHO, *COH, *CO, and *H on 380 catalyst surfaces with an accuracy within 0.20 eV. Subsequent analysis of the SAA catalysts' activity, selectivity, and stability led to the discovery of eight previously unexplored SAA catalysts for CO 2 RR. Notably, the surface activity of Ti@Cu(100), Au@Pt(100), and Ag@Pt(100) shines prominently. Utilizing DFT calculations, we elucidated the complete reaction pathway of the CO 2 RR on the surfaces of these catalysts, confirming their high catalytic activity with limiting potentials of -0.11, -0.34, and -0.46 eV, respectively, which are significantly lower than those of pure Cu catalysts. The results showcase the exceptional predictive prowess of AL, providing a valuable reference for the design of CO 2 RR catalysts.

The development of cost-effective and anti-coking catalysts for propane dehydrogenation (PDH) is crucial. Here, non-noble metal-incorporated Ni-based catalysts (Ni 3 M, M = Sc, Ti, V, Mn, Fe, Co, Cu, Zn, Ga, Zr, Nb, Mo, In, Sn) were employed in the PDH process. The introduction of V, Nb, and Mo, with their strong carbon binding ability, created unique Ni-M cooperative sites, enhancing the catalytic performance. Other non-noble metals influenced the electronic structure of Ni, affecting the overall catalytic behavior. V and Nb exhibited a balanced combination of activity, selectivity, and stability, making them potential catalyst candidates. Microkinetic simulations revealed that Ni 3 V and Ni 3 Nb displayed high selectivity toward olefins with low apparent activation energies. This study emphasizes the significance of bimetallic synergy in enhancing PDH performance and provides new directions for the development of efficient alkane dehydrogenation catalyst development.

Designing transition-metal oxides for catalytically removing the highly toxic benzene holds significance in addressing indoor/outdoor environmental pollution issues. Herein, we successfully synthesized ultrathin La y CoO x nanosheets (thickness of ∼1.8 nm) with high porosity, using a straightforward coprecipitation method. Comprehensive characterization techniques were employed to analyze the synthesized La y CoO x catalysts, revealing their low crystallinity, high surface area, and abundant porosity. Catalytic benzene oxidation tests demonstrated that the La 0.029 CoO x -300 nanosheet exhibited the most optimal performance. This catalyst enabled complete benzene degradation at a relatively low temperature of 220 °C, even under a high space velocity (SV) of 20,000 h -1 , and displayed remarkable durability throughout various catalytic assessments, including SV variations, exposure to water vapor, recycling, and long time-on-stream tests. Characterization analyses confirmed the enhanced interactions between Co and doped La, the presence of abundant adsorbed oxygen, and the extensive exposure of Co 3+ species in La 0.029 CoO x -300 nanosheets. Theoretical calculations further revealed that La doping was beneficial for the formation of oxygen vacancies and the adsorption of more hydroxyl groups. These features strongly promoted the adsorption and activation of oxygen, thereby accelerating the benzene oxidation processes. This work underscores the advantages of doping rare-earth elements into transition-metal oxides as a cost-effective yet efficient strategy for purifying industrial exhausts.

Copper-gold alloy exhibits excellent catalytic performance for the carbon dioxide electroreduction (CO 2 ER) reaction, but the mechanism of the effect of the Cu/Au ratio on the selectivity of C 1 /C 2 products has not been carefully investigated. In this work, (100) and (111) surfaces of three CuAu alloys with different Cu/Au (3:1, 1:1, 1:3) ratios are constructed. The properties of CuAu surfaces like density of states, Bader charge, and the whole CO 2 ER to C 2 H 4 and C 2 H 5 OH mechanisms are investigated. Our calculation reveals that the adsorption capacity of the catalyst surface for the intermediates *COOH and *CO is enhanced with the increase of the Au ratio. The calculation results show that the Cu1Au1(100) surface has the highest activity for CO 2 ER to CO ( U L = -0.32 V). Furthermore, the Cu3Au1(100) surface exhibits the best coupling performance, and ethanol is the dominant product for CO 2 ER to C 2 products. Our work provides a useful guideline for further developing CO 2 ER electrocatalysts.