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.

A theoretical simulation on the catalytic oxidation of CO on Pt/graphene

Abstract: The catalytic oxidation of CO on Pt/X-graphene (X = “pri” for pristine- or “SV” for defective-graphene with a single vacancy) is investigated using the first-principles method based on density functional theory. In contrast to a Pt atom on pristine graphene, a vacancy defect in graphene strongly stabilizes a single Pt adatom and makes the Pt adatom more positively charged, which helps to weaken the CO adsorption and facilitates the O2 adsorption, thus enhancing the activity for CO oxidation and alleviating the CO poisoning of the platinum catalysts. The CO oxidation reaction on Pt/SV-graphene has a low energy barrier (0.58 eV) by the Langmuir–Hinshelwood (LH) reaction (CO + O2 → OOCO → CO2 + Oads) which is followed by the Eley–Rideal (ER) reaction with an energy barrier of 0.59 eV (CO + Oads → CO2). The results validate the reactivity of catalysts on the atomic-scale and initiate a clue for fabricating carbon-based catalysts with low cost and high activity.

Iron-based phosphides as electrocatalysts for the hydrogen evolution reaction: recent advances and future prospects

Abstract: Electrochemical water splitting is the most promising process to produce carbon-neutral hydrogen as an energy carrier, and hydrogen evolution reaction (HER) electrocatalysts are essential to reduce the energy barrier and improve hydrogen production efficiency. This driving force necessitates the design of HER electrocatalysts with low-cost, high-abundance, high activity and stability. In this review, we systemically summarize recent publications with critical insight into the advances of iron-based phosphides as HER electrocatalysts. Various synthesis strategies corresponding to different phosphating strategies for guiding iron phosphide design are described, followed by illustrations of how to boost FeP HER catalytic performance by enriching the accessible active sites and modifying the electronic structure. Finally, we point out several challenges and prospects, which can open up opportunities to design next-generation FeP HER electrocatalysts.

Protein Allostery and Conformational Dynamics.

Abstract: The functions of many proteins are regulated through allostery, whereby effector binding at a distal site changes the functional activity (e.g., substrate binding affinity or catalytic efficiency) at the active site. Most allosteric studies have focused on thermodynamic properties, in particular, substrate binding affinity. Changes in substrate binding affinity by allosteric effectors have generally been thought to be mediated by conformational transitions of the proteins or, alternatively, by changes in the broadness of the free energy basin of the protein conformational state without shifting the basin minimum position. When effector binding changes the free energy landscape of a protein in conformational space, the change affects not only thermodynamic properties but also dynamic properties, including the amplitudes of motions on different time scales and rates of conformational transitions. Here we assess the roles of conformational dynamics in allosteric regulation. Two cases are highlighted where NM...