Henan Normal University

About: Henan Normal University is a education organization based out in Xinxiang, China. It is known for research contribution in the topics: Catalysis & Ionic liquid. The organization has 10863 authors who have published 11077 publications receiving 166773 citations.

Single Pd atomic catalyst on Mo2CO2 monolayer (MXene): unusual activity for CO oxidation by trimolecular Eley-Rideal mechanism.

Abstract: The geometric stability, electronic structure and catalytic properties of a single Pd atom deposited on a pristine Mo2CO2 monolayer and a defective Mo2CO2 monolayer with an oxygen vacancy (denoted as Pd/OV–Mo2CO2) are systematically investigated through density functional theory. We find that the oxygen vacancy (OV) can stabilize the single Pd atom and make the Pd/OV–Mo2CO2 system an excellent mono-dispersed atomic catalyst. The Pd dopant serves as an active center which makes the intermediates react productively around it. Three reaction mechanisms are considered for CO oxidation to test the catalytic activity of Pd/OV–Mo2CO2, which exhibits high activity for CO oxidation via a tri-molecular Eley–Rideal (TER) mechanism with a rate-limiting energy barrier of 0.49 eV. The pre-adsorbed CO molecules on the Pd dopant could transfer electrons to the O2-2π* orbitals, which would promote O2 molecule activation and induce O–O bond scission. This work demonstrates that the defective monolayer MXene may serve as a promising sort of support to fabricate single atomic catalysts (SACs) for CO oxidation or other reactions, agreeing well with the experimental reports, which opens up a new avenue for the design and fabrication of SACs of MXene-based materials.

Boron-Doped C3N Monolayer as a Promising Metal-Free Oxygen Reduction Reaction Catalyst: A Theoretical Insight

Abstract: Active metal-free catalysts for the oxygen reduction reaction (ORR) are extremely desired for the renewable energy technology. In this study, the ORR on the B-doped C3N monolayer in the acid environment has been investigated by using the first-principle calculations. It is found that the formation of the B-doped C3N monolayer is highly exothermic. The ORR on the B-doped C3N monolayer proceeds through the four-electron pathway. For the doped C3N monolayer with B replacing N, the ORR prefers to proceed by first forming an OOH intermediate and then reducing OOH to OH + OH. The reduction of OH + OH to H2O + OH is the rate-determining step with an energy barrier of 1.05 eV, and the formation of the second H2O is the potential-determining step with an overpotential of 0.60 V. However, the doped C3N monolayer with B replacing C has a low catalytic activity toward the ORR compared with the former, the underlying mechanism for which has been explored based on the electronic structure analysis. Our study suggests t...

Formation, Stabilities, and Electronic and Catalytic Performance of Platinum Catalyst Supported on Non-Metal-Doped Graphene

Abstract: The geometry, electronic structure, and catalytic properties of Pt catalyst supported on the nonmetal doped-graphene (denoted as D-graphene, where D represents the B, Si, O and P dopant) substrates are investigated using the first-principles method. The nonmetal atoms (NA) have small adsorption energies and prefer to be adsorbed at the bridge site on the pristine graphene. In contrast, they prefer to be anchored at the vacancy site as dopants and form stable D-graphene. The NA dopants can modify the local surface curvature and the electronic properties of graphene and therefore regulate the chemical activity of the D-graphene, which can be used as support for catalysts. The highly stable Pt catalysts supported on the D-graphene substrates (Pt/D-graphene) exhibit good catalytic activity for CO oxidation. By comparing both the Langmuir–Hinshelwood (LH) and Eley–Rideal reaction mechanisms, the LH reaction as the starting state is energetically more favorable. Among the Pt/D-graphene systems studied, CO oxida...

Dimethyl Sulfoxide Participant Iron-Mediated Cascade Oxidation/α-Formylation Reaction of Substituted 2,3-Dihydropyrroles under Air and Protonic Acid Free Condition

Abstract: An efficient and Bronsted acid free one-pot protocol to directly generate structurally sophisticated α-formylpyrrole derivatives in moderate to good yields has been demonstrated, involving an iron-mediated domino oxidation/formylation reaction of readily available 2,3-dihydro-1H-pyrroles in dimethyl sulfoxide and air atmosphere, in which dimethyl sulfoxide acts as the formyl donor. A possible mechanism is presented.

A Study of the Interaction Between a New Reagent and Serum Albumin by Fluorescence Spectroscopy

Abstract: The synthesis of a new reagent, saturated fatty hydrocarbon substituting group compound N-n-hexyl-N ′-(sodium p-aminobenzenesulfonate) thiourea (HXPT), is described. The interactions between HXPT and bovine serum albumin or human serum albumin were studied by fluorescence spectroscopy. The binding constants of HXPT with BSA or HSA were determined at different temperatures under the optimum conditions. The binding sites were obtained and the acting force were suggested to be mainly hydrophobic. The effect of common ions on the binding constants was also investigated. A practical method was proposed for the determination of HXPT in bovine serum or human serum samples.