2023
DOI: 10.1039/d3ta01592k
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Progress and prospects of electrochemical reduction of nitrate to restore the nitrogen cycle

Abstract: Nitrate pollution has become a serious global problem due to the development of the nitrogen fertilizer industry, which poses a threat to the ecosystem and human health. Electrochemical reduction is...

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Cited by 29 publications
(23 citation statements)
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References 199 publications
(213 reference statements)
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“…To shed further light on the different NO 3 R selectivities toward NH 2 OH, NH 3 , and N 2 observed with the Cu, Zn, and Zn 93 Cu 7 electrocatalysts, we performed a mechanistic investigation by means of periodic density functional theory (DFT) calculations (see the Supporting Information for details). To avoid the well-documented issues associated with the modeling of charged species through the introduction of a background charge in the unit cell, , and since the reduction from NO 3 – to nitric oxide (NO) is widely understood, ,, we set the zero of energies in our calculations to be the neutral NO molecule instead of NO 3 – (see the Supporting Information for further details).…”
Section: Results and Discussionmentioning
confidence: 99%
“…To shed further light on the different NO 3 R selectivities toward NH 2 OH, NH 3 , and N 2 observed with the Cu, Zn, and Zn 93 Cu 7 electrocatalysts, we performed a mechanistic investigation by means of periodic density functional theory (DFT) calculations (see the Supporting Information for details). To avoid the well-documented issues associated with the modeling of charged species through the introduction of a background charge in the unit cell, , and since the reduction from NO 3 – to nitric oxide (NO) is widely understood, ,, we set the zero of energies in our calculations to be the neutral NO molecule instead of NO 3 – (see the Supporting Information for further details).…”
Section: Results and Discussionmentioning
confidence: 99%
“…have demonstrated markedly superior catalytic performance in the NO 3 RR, 16,39,45–48 but the noble metal catalysts are susceptible to toxic effects in terms of airborne impurities, the strong adsorption of N intermediates on the metal surface, and the presence of reactive oxygen species in the solution, which would inhibit long-term operations. 49–51 In the noble metal family, Pd-based catalysts are notable for integrating both good catalytic activity and strong stability. And Pd-based nanomaterials possess the following unique advantages.…”
Section: Pd-based Nanomaterials For the No3rrmentioning
confidence: 99%
“…Finally, the rich chemical activity and properties can endow Pd nanomaterials with great opportunities to further modulate the catalytic performance. 49,56 For instance, Pd can form stable alloys with not only Au, Ag, Ir, Ru, Rh, etc. noble metals, 16 but also Fe, Co, Ni, Mo, Mn, etc.…”
Section: Pd-based Nanomaterials For the No3rrmentioning
confidence: 99%
“…With industrial sewage discharge and the excessive use of nitrogen fertilizers, nitrate concentrations have increased rapidly in surface water and groundwater, leading to serious problems for human health as nitrate can be converted into carcinogenic nitrite. , Various strategies have been developed to treat nitrate, including biological denitrification and ion exchange, but harsh process conditions and high cost limit their practical applications . Electrochemical nitrate reduction reaction (NO 3 RR) has been regarded as a prospective route to removing nitrate pollutants owing to the moderate operation conditions and excellent efficiency. , Meanwhile, the process also offers an alternative approach to producing ammonia .…”
Section: Introductionmentioning
confidence: 99%