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  1. Evaluating CO2 mitigation strategies in SAF biorefineries: Techno-economic and life cycle analysis

    The aviation sector requires scalable decarbonization strategies, and lignocellulosic sustainable aviation fuel (SAF) represents a promising pathway. This study comparatively evaluates the techno-economic analysis and life cycle assessment (LCA) of three CO2 management strategies integrated within a U.S.-based gasification–Fischer–Tropsch SAF biorefinery: (i) catalytic hydrogenation of captured CO2 to methanol, (ii) geological CO2 sequestration, and (iii) mineralization to sodium bicarbonate (NaHCO3). Techno-economic analysis indicates that methanol synthesis requires approximately 26% higher capital investment and 33% higher operating costs than mineralization. Although methanol co-production generates the highest gross revenue, NaHCO3 production reduces the SAF minimum selling price by approximately 38% relative tomore » both methanol synthesis and geological sequestration pathways, reflecting a more balanced cost allocation through mineral co-product valorization. Geological sequestration lowers operating costs by nearly 50% compared with methanol synthesis but remains highly dependent on carbon credit mechanisms. LCA reveals substantial divergence in climate performance. Relative to methanol synthesis, sequestration improves net greenhouse gas performance by approximately 163%, transitioning the system from net-positive to net-negative emissions. Mineralization further enhances carbon mitigation, achieving roughly 85% greater carbon reduction than sequestration and over sixfold improvement relative to methanol synthesis within the defined system boundary. Sensitivity analysis identified hydrogen price, co-product market value, and process emissions as dominant drivers. Under baseline assumptions, CO2 mineralization is found to offer the most balanced pathway.« less
  2. CoMnCrGa: a novel ferromagnetic material with high spin-polarization for room temperature spintronics

    Here, we report the synthesis of a novel quaternary Heusler alloy CoMnCrGa and its structural, magnetic, transport and electronic properties using both experimental and theoretical methods.
  3. High spin polarization in the disordered quaternary Heusler alloy FeMnVGa

    Here in this paper, we report the successful synthesis of a Fe-based highly spin-polarized quaternary Heusler alloy FeMnVGa and its structural, magnetic, and transport properties probed through different experimental methods and theoretical techniques. Density functional theory (DFT) calculations performed on different types of structures reveal that the structure with Ga at 4a, V at 4b, Mn at 4c, and Fe at 4d (space group F$$\bar{4}$$3m) possess minimum energy among all the ordered variants. Ab initio simulations in the most stable ordered structure show that the compound is a ferromagnet having a large spin-polarization (89.9%). Neutron diffraction reveals that the compoundmore » crystallizes in disordered type-2 structure (space group Fm$$\bar{3}$$m) in which Ga occupies at 4a, V 4b and Fe/Mn occupy 4c/4d sites with 50:50 proportions. The structural disorder is further confirmed by x-ray diffraction, extended x-ray absorption fine structure, 57Fe Mössbauer spectrometry results, and DFT calculations. Magnetization studies suggest that the compound orders ferromagnetically below TC~ 293 K and the saturation magnetization follows the Slater-Pauling rule. Mössbauer spectrometry, along with neutron diffraction, suggest that Mn is the major contributor to the total magnetism in the compound, consistent with the theoretical calculations, which also indicates that spin polarization remains high (81.3%), even in the presence of such large atomic disorder. The robustness of the half-metallic ferromagnetic (HMF) property in the presence of disorder is a quite unique characteristic over other reported HMF in literature and makes this compound quite promising for spintronics applications.« less
  4. 4 d element induced improvement of structural disorder and development of weakly reentrant spin-glass behavior in NiRuMnSn

    The pursuit of efficient spin polarization in quaternary Heusler alloys with the general formula XX'YZ (where X, X', and Y are transition metals and Z is a p-block element) has been a subject of significant scientific interest. While previous studies showed that isoelectronic substitution of a 4d element in place of a 3d element in quaternary Heusler alloys improves the half-metallic ferromagnetic characteristics, our research here, on the quaternary Heusler alloy NiRuMnSn, reveals a strikingly different scenario. In this study, we present a detailed structural analysis of the material using x-ray absorption fine structure and neutron diffraction techniques which confirmsmore » the formation of a single-phase compound with 50:50 site disorder between Ni and Ru atoms at 4c and 4d sites. Contrary to expectations, our density functional theory calculations suggest a considerable decrease in spin polarization even in the ordered structure. Additionally, we report on the compound's exceptional behavior, displaying a rare reentrant spin-glass property below ~ 60 K, a unique and intriguing feature for quaternary Heusler-type compounds.« less

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"Bhattacharyya, D"

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