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Thermodynamics of the Oxygen Reduction Reaction on Surfaces of Nitrogen-Doped Graphene
AbstractDFT modeling is used to calculate the free energy profiles of oxygen reduction in acidic and alkaline media on surfaces of nitrogen-doped...
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Single Ru Atom Supported on B-Doped Graphyne as an Efficient Electrocatalyst for the Nitrogen Reduction Reaction
Electrocatalytic nitrogen reduction reaction (NRR) is a promising technology for ammonia synthesis under environmental conditions due to its...
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The graphene-supported transition metal cluster as efficient electrocatalyst for nitrogen reduction reaction
NH 3 is the most basic raw material in industrial and agricultural production, and it is also an excellent hydrogen carrier. The high energy...
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Silicon-, Nitrogen-Doped Single-Walled Carbon Nanotubes as Oxygen Reduction Reaction Catalysts
AbstractSingle-walled carbon nanotubes doped with silicon and nitrogen atoms, SiС 138 N 4 and SiC 137 N 6 , were studied at the DFT ωB97XD/DGDZVP level....
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Pathways of the Electrochemical Nitrogen Reduction Reaction: From Ammonia Synthesis to Metal-N2 Batteries
Ammonia is considered as an alternative fuel resource for a sustainable green future. The production of ammonia involves the electrochemical nitrogen...
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Lithium-mediated nitrogen reduction to ammonia via the catalytic solid–electrolyte interphase
The lithium-mediated nitrogen reduction reaction (LiNRR) produces ammonia in ambient conditions. This electrochemical pathway is dependent on a...
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Nitrogen doped carbonaceous materials as platinum free cathode electrocatalysts for oxygen reduction reaction (ORR)
Comparison of physicochemical properties and electrocatalytic behavior of different N-doped carbonaceous materials as potential catalysts for oxygen...
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Synthesis of Boron Nitride by Reduction of Boron Oxide with Aluminum in Nitrogen
AbstractThe paper presents the results of studies of the self-propagating high temperature synthesis (SHS) of boron nitride via chemical reduction of...
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Rational Design of Atomic Site Catalysts for Electrocatalytic Nitrogen Reduction Reaction: One Step Closer to Optimum Activity and Selectivity
The electrocatalytic nitrogen reduction reaction (NRR) has been one of the most intriguing catalytic reactions in recent years, providing an...
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Combinations of electron and proton donors in transition-metal complex mediated nitrogen reduction reactions
Nitrogen fixation is a complex process involving the transfer of six electrons and protons. Diverging from the conventional Haber-Bosch process,...
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Preparation of nitrogen-doped porous carbon modified by iron carbide and its application in an oxygen reduction reaction
A high-efficiency carbon-based metal catalyst was prepared using inexpensive raw materials and a simple synthetic method to replace the commercial...
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Nitrogen-Doped Cellulose-Based Porous Carbon for Electrocatalytic CO2 Reduction to CO
Carbon capture and conversion technology is the main method to reduce carbon dioxide emissions. Porous carbon with large surface area, excellent...
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Nitrogen co-do** into MnMOF wrapped in reduced graphene oxide (N-MnMOF@rGO): an advanced catalyst for oxygen reduction reaction
Combing the Mn metal–organic frameworks (MnMOFs) actives with rational carbon-matrix support is an effective way to develop high-performance...
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OH-Functionalized N-Doped Graphene Quantum Dots as an Efficient Metal-Free Catalysts for Oxygen Reduction Reaction in PEMFCs
Utilizing the density functional theory (DFT) method, we investigated the catalytic activity of N-doped graphene quantum dots (NGQDs) with nitrogen...
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Potential of Nanocages as Effective Catalysts for Oxygen Reduction Reaction
In this work, the abilities of Ni-C 38 , Ni-B 19 N 19 and Ni-Si 38 for oxygen reduction reaction (ORR) are investigated. The E formation of Ni-C 38 , Ni-B 19 N 19 ...
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Tandem Catalysts Based on Bimetallic Single Atoms Embedded in 2D CCFs for Efficient Nitrogen Reduction Reaction
Although single-atom catalysts offer greater possibilities for the development of green ammonia synthesis technology under mild conditions, their...
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Selective Pathway of Nitrogen Reduction Controlled by Symmetry Breaking in BiErRu2O7 Pyrochlores
The production of ammonia (NH 3 ) from nitrogen (N 2 ) in mild electrochemical conditions is of prime importance to obtaining sustainable fertilizers and...
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In-Silico Screening the Nitrogen Reduction Reaction on Single-Atom Electrocatalysts Anchored on MoS2
We show that a Single-Atom Electrocatalyst (SAC) for the Nitrogen Reduction Reaction (NRR) can provide an environmentally green alternative to the...
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Co(CN)3 catalysts with well-defined coordination structure for the oxygen reduction reaction
Metal-nitrogen-doped carbon (M-N-C) catalysts are promising platinum group metals alternatives for fuel cell cathodes; however, their randomly...
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Cu-based MOF-derivatived catalyst for efficient electrocatalytic reduction of nitrogen and nitrate to produce ammonia
Electrochemical synthesis of ammonia is considered to be a promising approach due to its environmentally friendly process, great effort has been made...
