Direct synthesis of aromatics from syngas is a great challenge because of severe operating conditions and low yield of aromatics. Making this process more competitive than the MTA (methanol to aromatics) process will require high energy efficiency and low CO 2 emission. A combination of Na-Zn-Fe 5 C 2 and hierarchical HZSM-5 with uniform mesopores dramatically changed the product distribution of Fischer-Tropsch synthesis, leading to 51% aromatic selectivity under the stable stage with CO conversion >85%. C 12+ heavy hydrocarbons almost disappeared, and the catalyst showed good stability. The hierarchical zeolitic structure and Brønsted acidity of HZSM-5 could be precisely tuned by controlling the alkali treatment conditions and the degree of ion exchange. The appropriate density and strength of the Brønsted acid sites and the hierarchical pore structure of HZSM-5 endowed the catalyst with an unprecedented aromatic yield. This work shows a broad area for development for syngas conversion.Recently, a high-performance catalyst, Na-Zn-Fe 5 C 2 (termed as FeZnNa), was developed by the co-precipitation method (Figures S1-S3). 22 The molar weight ratio of

The Mössbauer spectroscopy of iron carbides (α-Fe, γ'-FeC, η-Fe2C, ζ-Fe2C, χ-Fe5C2, h-Fe7C3, θ-Fe3C, o-Fe7C3, γ'-Fe4C, γ''-Fe4C, and α'-Fe16C2) is predicted utilizing the all electron full-potential linearized augmented plane wave (FLAPW) approach across various functionals from LDA to GGA (PBE, PBEsol, and GGA + U) to meta-GGA to hybrid functionals. To validate the predicted MES from different functionals, the single-phase χ-Fe5C2 and θ-Fe3C are synthesized in experiment and their experimental MES under different temperature (from 13 K to 298 K) are determined. The result indicates that the GGA functional (especially, the PBEsol) shows remarkable success on the prediction of Mössbauer spectroscopy of α-Fe, χ-Fe5C2 and θ-Fe3C with delocalized d electrons. From the reliable simulations, we propose a linear relationship between Bhf and μB with a slope of 12.81 T/μB for iron carbide systems and that the proportionality constant may vary from structure to structure.

Cu/ZnO catalysts primarily derived from aurichalcite with Cu/Zn = 0.4–1.1 (mol/mol) were prepared via “decreased pH” coprecipitation method and introduced in hydrogenation of furfural to furfuryl alcohol.

No abstract