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Boosted nitrate electroreduction to ammonia on Fe-doped SnS2 nanosheet arrays rich in S-vacancies

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Ionic Liquid‐Assisted Electrocatalytic NO Reduction to NH3 by P‐Doped MoS2

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Creating Moderate Local Reaction Environment on Nanoporous Cu2O for Electrocatalytic Ammonia Oxidation to Nitrite and Nitrate

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Design of material regulatory mechanism for electrocatalytic converting NO/NO3−to NH3progress

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Screened Ni3 single-cluster catalyst supported on graphidyne for high-performance electrocatalytic NO reduction to NH3: A computational study

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Selenium-vacancy-rich WSe2 for nitrate electroreduction to ammonia

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Bimetallic CuCe metal organic framework for efficient electrocatalytic reduction of nitric oxide to ammonia

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Electrochemical Urea Production over Diatomic Fe–Ni Catalyst: a Mechanism for C–N Coupling

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Theoretical Design of a Single Cu Atom Supported on 1T‐WS2/Graphene Catalyst for Electrocatalytic Nitrate Reduction to Ammonia

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Electrocatalytic NO Reduction to NH3 on Mo2C Nanosheets

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Rational design of Fe/Co-based diatomic catalysts for Li–S batteries by first-principles calculations

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Lewis Acid Fe‐V Pairs Promote Nitrate Electroreduction to Ammonia

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Theoretical study on the NO reduction electrocatalytic performance of graphdiyne supported Fe1–5 cluster

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Two-dimensional materials for NOx reduction to ammonia: From electrocatalyst to system

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Metal–Nitrogen Batteries: Emerging and Promising Models for Energy Conversion/Storage System and Simultaneous NH3 Synthesis

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Electrochemical NO reduction to NH3 on Cu single atom catalyst

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Metal/covalent-organic framework-based electrocatalysts for electrochemical reduction of nitrate to ammonia

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V (Nb) Single Atoms Anchored by the Edge of a Graphene Armchair Nanoribbon for Efficient Electrocatalytic Nitrogen Reduction: A Theoretical Study

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High‐Throughput Screening of Heterogeneous Transition Metal Dual‐Atom Catalysts by Synergistic Effect for Nitrate Reduction to Ammonia

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Theoretical investigation of graphdiyne-supported single-cluster catalysts for electroreduction of nitric oxide

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Active-site and interface engineering of cathode materials for aqueous Zn—gas batteries

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Sub-nm RuOx Clusters on Pd Metallene for Synergistically Enhanced Nitrate Electroreduction to Ammonia

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Mechanistic exploring the catalytic activity of single-atom catalysts anchored in graphitic carbon nitride toward electroreduction of nitrate-to-ammonia

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Emerging MXene-based electrocatalysts for efficient nitrate reduction to ammonia: recent advance, challenges, and prospects

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Transition metal atoms embedded graphyne as effective catalysts for nitrate electroreduction to ammonia: A theoretical study

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Multi‐Site CuZn Alloy Boosts Nitrate Reduction to Ammonia via Optimized Intermediate Adsorption

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Cu2+1O/Ag Heterostructure for Boosting the Electrocatalytic Nitrate Reduction to Ammonia Performance

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Mechanistic Understanding of the Electrocatalytic Nitrate Reduction Activity of Double-Atom Catalysts

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Facile Synthesis of a Cu3Mo2O9 Nanosheet Array for Electrochemical Reduction of Nitrite to Ammonia in Neutral Solution

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Size−selected Cu4 cluster anchored on C2N monolayer for efficient nitrite electroreduction to ammonia: a computational study

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Computational design of one FeCoNiCuZn high-entropy alloy for high-performance electrocatalytic nitrate reduction

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First-Principles Study on the CO2 Reduction Reaction (CO2RR) Performance of h-BN-Based Single-Atom Catalysts Modified with Transition Metals

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Recent hydrogen production strategies: Recent advances in electrocatalysis

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Single‐Atom Bi Alloyed Pd Metallene for Nitrate Electroreduction to Ammonia

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Computational investigation of MnIr and FeIr electrocatalyst for nitrogen reduction reaction

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Homonuclear dual-atom catalysts embedded on N-doped graphene for highly efficient nitrate reduction to ammonia: From theoretical prediction to experimental validation

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Theoretical Insights into the Selective Electrocatalytic Reduction of NO to NH3 on a Two-Dimensional Cu-Benzylthiol Metal–Organic Framework Nanostructure

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The Screening of Homo‐ and Hetero‐Dual Atoms Anchored Graphdiyne for Boosting Electrochemical CO2 Reduction

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Co-Embedding homonuclear Dual-Metal sites and phosphorus atom to achieve efficient methylamine electrosynthesis from carbon dioxide and nitrate

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Bimetallic synergistic catalysts based on two-dimensional carbon-rich conjugated frameworks for nitrate electrocatalytic reduction to ammonia: catalyst screening and mechanism insights

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Ab Initio Study of a Tandem PdCu Catalyst Supported on Carbon Nitride Nanosheets for Nitrate-to-Ammonia Electrochemical Reduction

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An enhanced nitrate-to-ammonia conversion through bimetallic synergism and architectural effects

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First principle investigation of nitric oxide reduction reaction for efficient ammonia synthesis over a Fe–Mo dual-atom electrocatalyst

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Nonprecious Triple-Atom Catalysts with Ultrahigh Activity for Electrochemical Reduction of Nitrate to Ammonia: A DFT Screening

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PdNi nanosheets boost nitrate electroreduction to ammonia

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Electrocatalytic Reduction of Nitric Oxide to Ammonia on Defective ZnIn2S4

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Atomically dispersed Co catalyst for electrocatalytic NO reduction to NH3

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Enhancing electrocatalytic nitrate/nitric oxide reduction to NH3 on two-dimensional p-block InSe monolayer via defect engineering

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Leveraging machine learning to expedite screening of single-atom catalysts in electrochemical nitrate reduction to ammonia

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Ultrahigh-Density Double-Atom Catalyst with Spin Moment as an Activity Descriptor for the Oxygen-Reduction Reaction

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Theoretically developing the iron salophen-based organic framework for electrocatalytic nitrate reduction and revealing the origin of higher activity versus Fe−N4−C

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