Topics

Ru-polyoxometalate as a single-atom electrocatalyst for N reduction to NH with high selectivity at applied voltage: a perspective from DFT studies.

08:00 EDT 24th March 2020 | BioPortfolio

Summary of "Ru-polyoxometalate as a single-atom electrocatalyst for N reduction to NH with high selectivity at applied voltage: a perspective from DFT studies."

Many highly active electrocatalysts for the reduction of N2 to NH3 (NRR) have been synthesized but suffer from poor selectivity. One crucial reason is that the adsorption of hydrogen often dominates at the active centers at applied voltage, which leads to the competitive hydrogen evolution reaction. This work used density functional theory (DFT) calculations to develop a class of stable polyoxometalate-based electrocatalysts including phosphomolybdic-, phosphotungstic-, silicotungstic-, and silicomolybdic-acid supported Ru single atoms to efficiently catalyze the NRR process with an overpotential lower than 0.25 V. More importantly, phosphomolybdic- and phosphotungstic acid-supported Ru electrocatalysts can achieve high selectivity at applied voltage. This work offers useful insights into designing high-performance polyoxometalate-based electrocatalysts for the NRR.

Affiliation

Journal Details

This article was published in the following journal.

Name: Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Pages:

Links

DeepDyve research library

PubMed Articles [25469 Associated PubMed Articles listed on BioPortfolio]

Understanding the Origin of Selective Reduction of CO to CO on Single-Atom Nickel Catalyst.

Electrochemical reduction of CO2 to CO offers a promising strategy for regulating the global carbon cycle and providing feedstock for the chemical industry. Understanding the origin that determines th...

Electrochemical CO Reduction in a Continuous Non-Aqueous Flow Cell with Ni(cyclam).

A significant number of molecular catalysts have been developed for electrochemical CO reduction with high efficiency and selectivity; however, testing of these electrocatalysts in an application-read...

Coordination Tunes Selectivity: Two-Electron Oxygen Reduction on High-Loading Molybdenum Single-Atom Catalysts.

Single-atom catalysts (SACs) have great potential in electrocatalysis. Their performance can be rationally optimized by tailoring the center metal atoms, adjacent coordinative dopants, and metal loadi...

Electrochemical Conversion of CO2 to Syngas with Controllable CO/H2 Ratios over Co and Ni Single-Atom Catalysts.

The electrochemical CO 2 reduction reaction (CO 2 RR) to yield synthesis gas (syngas, CO and H 2 ) has been considered as a promising method to realize the net reduction in CO 2 emission. However, it ...

FeC cluster-promoted single-atom Fe, N doped carbon for oxygen-reduction reaction.

A key challenge in carrying out an efficient oxygen reduction reaction (ORR) is the design of a highly efficient electrocatalyst that must have fast kinetics, low cost and high stability for use in an...

Clinical Trials [10838 Associated Clinical Trials listed on BioPortfolio]

Effectiveness of the Just Right Challenge Food Club for Decreasing Food Selectivity and Increasing Mealtime Quality

This single subject study tested the effectiveness of the Just Right Challenge Food Club for decreasing food selectivity and increasing mealtime qualify for children with developmental dis...

Peripheral Vascular Effects of Sulfhydryl-containing Antihypertensive Pharmacotherapy on Microvessels in Humans

High blood pressure can cause physical changes to the blood vessels of the body (remodeling). If a person who has high blood pressure also has a lot of blood vessel remodeling with their c...

Beta-2 Polymorphisms and Beta Receptor Selectivity

We hypothesize that b2 adrenergic polymorphisms affect b-receptor selectivity in patients with heart failure treated with either a b1-selective or a b-nonselective agent. b-2 polymorphisms...

Healthy Eating ASD

Most studies which have addressed food selectivity among children with autism spectrum disorders have been conducted in either clinic or home settings. School-based research has been condu...

Reduction Ratio and Clearance During Hemodialysis With MCO-filter Compared to HDF With Standard High-flux Filter

The Medium Cut-Off dialysis (MCO) membrane has been developed to improve middle molecule removal compared to standard high-flux dialysis filters. The major aim of this study is to compare...

Medical and Biotech [MESH] Definitions

Reduction of high-risk choices and adoption of low-risk quantity and frequency alternatives.

Widely distributed enzymes that carry out oxidation-reduction reactions in which one atom of the oxygen molecule is incorporated into the organic substrate; the other oxygen atom is reduced and combined with hydrogen ions to form water. They are also known as monooxygenases or hydroxylases. These reactions require two substrates as reductants for each of the two oxygen atoms. There are different classes of monooxygenases depending on the type of hydrogen-providing cosubstrate (COENZYMES) required in the mixed-function oxidation.

Carbon-containing thiophosphonic acid compounds. Included under this heading are compounds that have carbon bound to either SULFUR atom, PHOSPHOROUS atom, or the OXYGEN atom of the SPO2 core structure.

A group of beta-lactam antibiotics in which the sulfur atom in the thiazolidine ring of the penicillin molecule is replaced by a carbon atom. THIENAMYCINS are a subgroup of carbapenems which have a sulfur atom as the first constituent of the side chain.

Dietary recommendations that promote reduction in or prevention of high blood pressure. Recommendations include increasing intake of fruits and vegetables, and high-fiber, low-fat foods and reducing the intake of DIETARY SODIUM and high fat foods.

Quick Search


DeepDyve research library

Searches Linking to this Article