02257nas a2200265   4500008004100000022001400041245008600055210006900141260000900210490000700219520138700226653001601613653001501629653003901644653002001683653001201703100001701715700002201732700002901754700002201783700002501805700002601830700002001856856011501876       2025                        eng d  a1864-563100aIntegrated flue gas CO2 capture and conversion to formate: a sustainable approach0 aIntegrated flue gas CO2 capture and conversion to formate a sust  cDEC 0 v183 a<p>
	Industrial CO2 emissions, characterized by dilute streams and impurity complexity, demand energy-efficient mitigation strategies beyond conventional capture technologies. Here, an integrated CO2 capture and conversion (ICCC) system is reported employing a heterogenized iridium catalyst-hydroxyquinoline-ligated Cp*Ir-Cl immobilized on amine-functionalized silica-that directly converts CO2 from synthetic flue gas containing SOx, NOx, and O2 to formate with 100% selectivity. The catalyst delivers remarkable activity, achieving turnover numbers up to 10,286 within 16 h. Density functional theory reveals that its square pyramidal geometry, induced by the hydroxyquinoline ligand, enhances Ir-N(ring) bond strength and electronic delocalization, thereby improving hydration energy, structural robustness, and catalytic efficiency. Importantly, the catalyst system demonstrates excellent durability, maintaining full activity over five regeneration cycles. Hydrogenation in a 1 M DABCO medium, followed by thermal decomposition of the amine-formate adduct at 150 degrees C, enables efficient lean amine regeneration, allowing subsequent flue gas capture and formate production without performance loss. This closed-loop strategy delivers a sustainable, contaminant-tolerant, and recyclable CO2-to-formate platform with strong promise for scalable industrial deployment.</p>
10aCO2 capture10aflue gases10aintegrated capture and conversions10anet zero future10aRecycle1 aKumar, Rohit1 aMajumder, Supriyo1 aSingh, Chadrodai, Pratap1 aSamanta, Chanchal1 aNewalkar, Bharat, L.1 aKrishnamurty, Sailaja1 aDas, Raj, Kumar  uhttps://library.ncl.res.in/content/integrated-flue-gas-co2-capture-and-conversion-formate-sustainable-approach02057nas a2200205   4500008004100000022001400041245008000055210006900135260000800204300001100212490000800223520141000231653001701641653001501658653002401673653000801697100001701705700001801722856011101740       2026                        eng d  a0169-433200aWhen facets meet impurities: Trace gas dominance over CO2 adsorption on ZnO0 aWhen facets meet impurities Trace gas dominance over CO2 adsorpt  cMAY  a1661510 v7293 a<p>
	The catalytic hydrogenation of CO2 to methanol using Cu-ZnO/Al2O3 (CZA) is a key route for sustainable chemical production, when coupled with CO2-rich industrial off-gases. However, trace secondary gases, though present only at ppm levels, can poison active sites and suppress catalytic performance. In this work, we employ periodic density functional theory (DFT) to investigate interactions of H2S, SO2, NO2, NO, CO and CH4 with ZnO surfaces:(10(-)10), (10(-)11), (11(-)20), (10(-)13), and (11(-)22), and compared their adsorption pattern with CO2, the principle component of methanol synthesis. H2S dissociates on all the surfaces, SO2, and NO2 are chemisorbed, CH4 remains physisorbed, and NO, CO, and CO2 exhibit facet-dependent adsorption. Electronic structure analysis reveal that chemisorption occurs when surface energy states near the Fermi level overlap with HOMO of adsorbate, enabling charge transfer, whereas physisorption lacks such overlap. The adsorption strength follows the order: H2S SO2 NO2 NO CO CO2 CH4, suggesting that sulfur and nitrogen containing species exhibit strong chemisorption and compete with CO2 for active sites, potentially impacting the efficiency of methanol synthesis. These insights provide an atomic scale understanding of impurity-surface interactions and highlight potential role of ZnO as an efficient feed stock purifier for CO2-rich gas streams.</p>
10aCZA catalyst10aflue gases10aValorization of CO210aZnO1 aBhati, Meema1 aJoshi, Kavita  uhttps://library.ncl.res.in/content/when-facets-meet-impurities-trace-gas-dominance-over-co2-adsorption-zno