Theoretical Insights into Superior Nitrate Reduction to Ammonia Performance of Copper Catalysts
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This article is published in ACS Catalysis.The article was published on 2021-11-15 and is currently open access. It has received 82 citations till now. The article focuses on the topics: Nitrate & Copper.read more
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Recent advances in nanostructured heterogeneous catalysts for N-cycle electrocatalysis
TL;DR: In this article , the authors classify inorganic nitrogen sources that convert to each other under an applied voltage into three types, namely, abundant nitrogen, toxic nitrate (nitrite), and nitrogen oxides, and useful compounds such as ammonia, hydrazine, and hydroxylamine, with the goal of providing more critical insights into strategies to facilitate the development of our circular nitrogen economy.
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Regulating surface oxygen species on copper (I) oxides via plasma treatment for effective reduction of nitrate to ammonia
TL;DR: Wang et al. as mentioned in this paper demonstrate that tuning the oxygen chemical environment via Ar plasma treatment is an effective approach to improve the NO3-RR activity of Cu2O. They find that plasma treatment can effectively promote the formation of oxygen vacancies and hydroxyl groups on CU2O surface, thus leading to improved ammonia selectivity.
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An efficient screening strategy towards multifunctional catalysts for the simultaneous electroreduction of NO<sub>3</sub><sup>−</sup>, NO<sub>2</sub><sup>−</sup> and NO to NH<sub>3</sub>
Dongwei Ma,Kathryn R. Wagner +1 more
TL;DR: In this article , an efficient strategy focusing on the key protonation process was confirmed to screen multifunctional electrocatalysts for the NORR, NO 2 RR and NO 3 RR.
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Functionalized MXenes for efficient electrocatalytic nitrate reduction to ammonia
TL;DR: In this paper , the feasibility of two-dimensional transition mental carbide, M3C2 MXenes, as an electrocatalyst converting NO3-to NH3, is demonstrated.
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Electrocatalytic Hydrogenation Boosts Reduction of Nitrate to Ammonia over Single-Atom Cu with Cu(I)-N3C1 Sites.
TL;DR: In this paper , an atomic Cu sites anchored on micro-mesoporous nitrogen-doped carbon (Cu MNC) with fine-tuned hydrophilicity and abundant Cu(I) sites were synthesized for selective nitrate reduction to ammonia, achieving ambient temperature and pressure hydrogenation of nitrate.
References
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Projector augmented-wave method
TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
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Hendrik J. Monkhorst,J.D. Pack +1 more
TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
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