Stabilized ε-FeC catalyst with Mn tuning to suppress C1 byproduct selectivity for high-temperature olefin synthesis.

Accurately controlling the product selectivity in syngas conversion, especially increasing the olefin selectivity while minimizing C1 byproducts, remains a significant challenge. Epsilon FeC is deemed a promising candidate catalyst due to its inherently low CO selectivity, but its use is hindered by its poor high-temperature stability. Herein, we report the successful synthesis of highly stable ε-FeC through a N-induced strategy utilizing pyrolysis of Prussian blue analogs (PBAs).

A charge-decorated porous framework with polar pores and open O donor sites for CO/CH and CH/CH separations.

Developing efficient adsorbent materials towards energy gas purification, CO removal from natural gas or hydrocarbon separation, is an important but extremely challenging task. Herein, taking advantage of a cationic bipyridinium ligand in competition with a multicarboxylate ligand for binding with metal ions, a porous material with open carboxylate oxygen atoms exposed on the pore surface has been demonstrated as an efficient adsorbent for gas separation. The polar environment arising from the cationic pyridinium moiety and the negative carboxylate group endows the title compound with selective affinity to CO over CH.

Cerebral corridor creator for resection of trigone ventricular tumors: Two case reports.

Background: Resection of deep intracranial tumors requires significant brain retraction, which frequently causes brain damage. In particular, tumor in the trigone of the lateral ventricular presents a surgical challenge due to its inaccessible location and intricate adjacent relationships with essential structures such as the optic radiation (OR) fibers. New brain retraction systems have been developed to minimize retraction-associated injury.

Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor water induced phase transformation.

Luminescent metal-organic frameworks (LMOFs) with diverse structural features and promising fluorescence-based applications have attracted wide attention in the past two decades. In this work, a LMOF with the formula [Ca(tcbpe-F)(HO)] (1, LMOF-411) has been constructed from calcium (Ca) and 1,1,2,2-tetrakis(4-(4-carboxyphenyl)phenyl)ethene (Htcbpe-F). Compound 1 features a three-dimensional framework with a 10-nodal net topology.

Insight into the magnetic moment of iron borides: theoretical consideration from the local coordinative and electronic environment.

Experimentally observed magnetic properties are usually statistically averaged from bulk materials and information associated with the local chemical environment cannot be specified. Against this backdrop, we propose a theoretical strategy to provide an in-depth understanding of the multi-role for metrics that may contribute to the apparent magnetic moment of iron borides. In particular, we demonstrate this strategy through systematic manipulation of the iron/boron stoichiometry of six prototype iron borides to tune their associated local structural and electronic environment to further modulate the resultant magnetic moment.

Development of a reactive force field for the Fe-C interaction to investigate the carburization of iron.

The approach of molecular dynamics with Reactive Force Field (ReaxFF) is a promising way to investigate the carburization of iron which is pivotal in the preparation of desired iron-based materials and catalysts. However, it is a challenge to develop a reliable ReaxFF to describe the Fe-C interaction, especially when it involves bond rearrangement. In this work, we develop an exclusive set of Reactive Force Field (ReaxFF) parameters, denoted RPOIC-2017, to describe the diffusion behavior of carbon atoms in the α-Fe system.

Combined effects of long-pulsed neodymium-yttrium-aluminum-garnet laser, diprospan and 5-fluorouracil in the treatment of keloid scars.

Keloids are benign tumors that originate from scar tissues, but they usually overgrow beyond the original wounds. In a three-month single-center clinical trial, 69 patients were randomly divided into three groups. Patients in group 1 were treated with intralesional injection of diprospan (2 mg betamethasone disodium phosphate and 5 mg betamethasone dipropionate in 1 ml) with one-month intervals for three months.

When Density Functional Approximations Meet Iron Oxides.

Three density functional approximations (DFAs), PBE, PBE+U, and Heyd-Scuseria-Ernzerhof screened hybrid functional (HSE), were employed to investigate the geometric, electronic, magnetic, and thermodynamic properties of four iron oxides, namely, α-FeOOH, α-FeO, FeO, and FeO. Comparing our calculated results with available experimental data, we found that HSE (a = 0.15) (containing 15% "screened" Hartree-Fock exchange) can provide reliable values of lattice constants, Fe magnetic moments, band gaps, and formation energies of all four iron oxides, while standard HSE (a = 0.

Mössbauer Spectroscopy of Iron Carbides: From Prediction to Experimental Confirmation.

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.