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1. Solar‐Driven CO ₂ Conversion via Optimized Photothermal Catalysis in a Lotus Pod Structure

   https://doi.org/10.1002/anie.202305251  

   Wang, Hongmin; Fu, Shuting; Shang, Bo; Jeon, Sungho; Zhong, Yiren; Harmon, Nia J.; Choi, Chungseok; Stach, Eric A.; Wang, Hailiang (July 2023, Angewandte Chemie International Edition)

   Abstract Photothermal CO₂reduction is one of the most promising routes to efficiently utilize solar energy for fuel production at high rates. However, this reaction is currently limited by underdeveloped catalysts with low photothermal conversion efficiency, insufficient exposure of active sites, low active material loading, and high material cost. Herein, we report a potassium‐modified carbon‐supported cobalt (K⁺−Co−C) catalyst mimicking the structure of a lotus pod that addresses these challenges. As a result of the designed lotus‐pod structure which features an efficient photothermal C substrate with hierarchical pores, an intimate Co/C interface with covalent bonding, and exposed Co catalytic sites with optimized CO binding strength, the K⁺−Co−C catalyst shows a record‐high photothermal CO₂hydrogenation rate of 758 mmol g_cat⁻¹ h⁻¹(2871 mmol g_Co⁻¹ h⁻¹) with a 99.8 % selectivity for CO, three orders of magnitude higher than typical photochemical CO₂reduction reactions. We further demonstrate with this catalyst effective CO₂conversion under natural sunlight one hour before sunset during the winter season, putting forward an important step towards practical solar fuel production. 

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2. Mo₂P Monolayer as a Superior Electrocatalyst for Urea Synthesis from Nitrogen and Carbon Dioxide Fixation: A Computational Study

   https://doi.org/10.1002/eem2.12496  

   Jiao, Dongxu; Wang, Zhongxu; Liu, Yuejie; Cai, Qinghai; Zhao, Jingxiang; Cabrera, Carlos R.; Chen, Zhongfang (January 2024, ENERGY & ENVIRONMENTAL MATERIALS)

   Urea synthesis through the simultaneous electrocatalytic reduction of N₂and CO₂molecules under ambient conditions holds great promises as a sustainable alternative to its industrial production, in which the development of stable, highly efficient, and highly selective catalysts to boost the chemisorption, activation, and coupling of inert N₂and CO₂molecules remains rather challenging. Herein, by means of density functional theory computations, we proposed a new class of two‐dimensional nanomaterials, namely, transition‐metal phosphide monolayers (TM₂P, TM = Ti, Fe, Zr, Mo, and W), as the potential electrocatalysts for urea production. Our results showed that these TM₂P materials exhibit outstanding stability and excellent metallic properties. Interestingly, the Mo₂P monolayer was screened out as the best catalyst for urea synthesis due to its small kinetic energy barrier (0.35 eV) for C–N coupling, low limiting potential (−0.39 V), and significant suppressing effects on the competing side reactions. The outstanding catalytic activity of the Mo₂P monolayer can be ascribed to its optimal adsorption strength with the key *NCON species due to its moderate positive charges on the Mo active sites. Our findings not only propose a novel catalyst with high‐efficiency and high‐selectivity for urea production but also further widen the potential applications of metal phosphides in electrocatalysis. 

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3. Cobalt telluride electrocatalyst for selective electroreduction of CO2 to value-added chemicals

   https://doi.org/10.1007/s40243-022-00211-6  

   Saxena, Apurv; Singh, Harish; Nath, Manashi (August 2022, Materials for Renewable and Sustainable Energy)

   Abstract Recent emphasis on carbon dioxide utilization has necessitated the exploration of different catalyst compositions other than copper-based systems that can significantly improve the activity and selectivity towards specific CO 2  reduction products at low applied potential. In this study, a binary CoTe has been reported as an efficient electrocatalyst for CO 2 reduction in aqueous medium under ambient conditions at neutral pH. CoTe showed high Faradaic efficiency and selectivity of 86.83 and 75%, respectively, for acetic acid at very low potential of − 0.25 V vs RHE. More intriguingly, C1 products like formic acid was formed preferentially at slightly higher applied potential achieving high formation rate of 547.24 μmol cm −2  h −1  at − 1.1 V vs RHE. CoTe showed better CO2RR activity when compared with Co 3 O 4 , which can be attributed to the enhanced electrochemical activity of the catalytically active transition metal center as well as improved intermediate adsorption on the catalyst surface. While reduced anion electronegativity and improved lattice covalency in tellurides enhance the electrochemical activity of Co, high d-electron density improves the intermediate CO adsorption on the catalyst site leading to CO 2 reduction at lower applied potential and high selectivity for C 2 products. CoTe also shows stable CO2RR catalytic activity for 50 h and low Tafel slope (50.3 mV dec –1 ) indicating faster reaction kinetics and robust functionality. Selective formation of value-added C 2 products with low energy expense can make these catalysts potentially viable for integration with other CO 2 capture technologies thereby, helping to close the carbon loop. 

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4. Multifunctional Binding Interface Drives Near‐Unity CO Selectivity in Acidic CO ₂ Electrolysis

   https://doi.org/10.1002/anie.202514111  

   Li, Zhengyuan; Xu, Yuting; Li, Xing; Foley, Gregory_D Y; Lin, Dian‐Zhao; Zhang, Lingyu; Jayarapu, Krish N; Chen, Long; Gerke, Carter S; Liu, Andong; et al (October 2025, Angewandte Chemie International Edition)

   The electrocatalytic carbon dioxide (CO₂) reduction is challenged by the parasitic hydrogen evolution reaction (HER) especially in acidic media. Here, we elaborate that redox‐active isoindigo, acting as a multifunctional co‐catalyst, can pre‐activate CO₂‐bound intermediates and suppress HER upon the synergistic effects of Lewis acid‐base adduct formation, intramolecular hydrogen‐bond interaction, and interfacial water structure modulation. Modifying a silver catalyst with isoindigo substantially decreases the energy barrier for CO₂‐to‐*COOH conversion, which is regarded as the potential‐limiting step of carbon monoxide production. Accordingly, superior catalytic performances are obtained at pH 2, where Faradaic efficiencies surpass 99% at industrial‐relevant current densities. Moreover, we find that assembling an additional polyamine‐coated layer in front of gas flow channels improves CO₂transport to the catalyst layer, optimizing the trade‐off of conversion and selectivity at low flow rates. 

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5. Atomic-level active sites of efficient imidazolate framework-derived nickel catalysts for CO ₂ reduction

   https://doi.org/10.1039/C9TA08862H  

   Pan, Fuping; Zhang, Hanguang; Liu, Zhenyu; Cullen, David; Liu, Kexi; More, Karren; Wu, Gang; Wang, Guofeng; Li, Ying (November 2019, Journal of Materials Chemistry A)

   Nickel and nitrogen co-doped carbon (Ni–N–C) has emerged as a promising catalyst for the CO 2 reduction reaction (CO 2 RR); however, the chemical nature of its active sites has remained elusive. Herein, we report the exploration of the reactivity and active sites of Ni–N–C for the CO 2 RR. Single atom Ni coordinated with N confined in a carbon matrix was prepared through thermal activation of chemically Ni-doped zeolitic imidazolate frameworks (ZIFs) and directly visualized by aberration-corrected scanning transmission electron microscopy. Electrochemical results show the enhanced intrinsic reactivity and selectivity of Ni–N sites for the reduction of CO 2 to CO, delivering a maximum CO faradaic efficiency of 96% at a low overpotential of 570 mV. Density functional theory (DFT) calculations predict that the edge-located Ni–N 2+2 sites with dangling bond-containing carbon atoms are the active sites facilitating the dissociation of the C–O bond of the *COOH intermediate, while bulk-hosted Ni–N 4 is kinetically inactive. Furthermore, the high capability of edge-located Ni–N 4 being able to thermodynamically suppress the competitive hydrogen evolution is also explained. The proposal of edge-hosed Ni–N 2+2 sites provides new insight into designing high-efficiency Ni–N–C for CO 2 reduction. 

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