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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.
This article was published in the following journal.
Name: Physical chemistry chemical physics : PCCP
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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.