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The 71 checked references that resolve
resolves10.1038/ngeo325How a century of ammonia synthesis changed the world
resolves10.1039/C9CS00159JElectrochemical nitrogen fixation and utilization: theories, advanced catalyst materials and system design
resolves10.1016/j.nanoen.2020.104469Electrochemical ammonia synthesis through N2 and H2O under ambient conditions: Theory, practices, and challenges for catalysts and electrolytes
resolves10.1021/acsami.1c00871Hydroxyl-Boosted Nitrogen Reduction Reaction: The Essential Role of Surface Hydrogen in Functionalized MXenes
resolves10.1039/C9CS00280DHow to explore ambient electrocatalytic nitrogen reduction reliably and insightfully
resolves10.1021/acscatal.0c01081Rational Catalyst Design for N<sub>2</sub> Reduction under Ambient Conditions: Strategies toward Enhanced Conversion Efficiency
resolves10.1021/jacs.0c09527Realizing a Not-Strong-Not-Weak Polarization Electric Field in Single-Atom Catalysts Sandwiched by Boron Nitride and Graphene Sheets for Efficient Nitrogen Fixation
resolves10.1126/science.1073877Nitrogenase MoFe-Protein at 1.16 Å Resolution: A Central Ligand in the FeMo-Cofactor
resolves10.1021/acsnano.1c07771Synergistic Multisites Fe<sub>2</sub>Mo<sub>6</sub>S<sub>8</sub> Electrocatalysts for Ambient Nitrogen Conversion to Ammonia
resolves10.1021/ja512491vPhotochemical Nitrogen Conversion to Ammonia in Ambient Conditions with FeMoS-Chalcogels
resolves10.1002/adma.201800191Electrochemical Ammonia Synthesis via Nitrogen Reduction Reaction on a MoS<sub>2</sub> Catalyst: Theoretical and Experimental Studies
resolves10.1039/C9TA09264AFe nanodot-decorated MoS
<sub>2</sub>
nanosheets on carbon cloth: an efficient and flexible electrode for ambient ammonia synthesis
resolves10.1002/anie.202009217Single Atoms of Iron on MoS<sub>2</sub> Nanosheets for N<sub>2</sub> Electroreduction into Ammonia
resolves10.1039/D0SC04575FStructural insight into [Fe–S
<sub>2</sub>
–Mo] motif in electrochemical reduction of N
<sub>2</sub>
over Fe
<sub>1</sub>
-supported molecular MoS
<sub>2</sub>
resolves10.1016/j.chempr.2020.01.013Accelerated Dinitrogen Electroreduction to Ammonia via Interfacial Polarization Triggered by Single-Atom Protrusions
resolves10.1021/jacs.7b12101A Spectroscopic Study on the Nitrogen Electrochemical Reduction Reaction on Gold and Platinum Surfaces
resolves10.1002/anie.202003071A Spectroscopic Study of Electrochemical Nitrogen and Nitrate Reduction on Rhodium Surfaces
resolves10.1021/jacs.9b13349Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts
resolves10.1021/acs.jpclett.1c02432Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS<sub>2</sub> for Efficient Nitrogen Fixation
resolves10.1039/C9TA06470BA novel phosphotungstic acid-supported single metal atom catalyst with high activity and selectivity for the synthesis of NH
<sub>3</sub>
from electrochemical N
<sub>2</sub>
reduction: a DFT prediction
resolves10.1039/C1CP22271FA theoretical evaluation of possible transition metal electro-catalysts for N
<sub>2</sub>
reduction
resolves10.1021/jp047349jOrigin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
resolves10.1021/acs.jpcc.0c00486MoS<sub>2</sub>-Supported Fe<sub>2</sub> Clusters Catalyzing Nitrogen Reduction Reaction to Produce Ammonia
resolves10.1002/chem.201701113Feasibility of N<sub>2</sub> Binding and Reduction to Ammonia on Fe‐Deposited MoS<sub>2</sub> 2D Sheets: A DFT Study
resolves10.1016/j.nanoen.2019.104304High-throughput screening of transition metal single atom catalysts anchored on molybdenum disulfide for nitrogen fixation
resolves10.1039/D0NR00030BA DFT screening of single transition atoms supported on MoS
<sub>2</sub>
as highly efficient electrocatalysts for the nitrogen reduction reaction
resolves10.1103/PhysRevB.49.14251<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
resolves10.1103/PhysRevB.54.11169Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
resolves10.1103/PhysRevB.59.7413Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
resolves10.1063/1.3382344A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
resolves10.1021/jacs.8b10499QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis
resolves10.1021/jacs.9b09232New Mechanism for N<sub>2</sub> Reduction: The Essential Role of Surface Hydrogenation
resolves10.1021/jacs.5b03432Characterization of an Fe≡N–NH<sub>2</sub>Intermediate Relevant to Catalytic N<sub>2</sub>Reduction to NH<sub>3</sub>
resolves10.1039/C4CS00085DChallenges in reduction of dinitrogen by proton and electron transfer
resolves10.1038/nature12435Catalytic conversion of nitrogen to ammonia by an iron model complex
resolves10.1021/acsami.9b15570Design of a High-Performance Electrocatalyst for N<sub>2</sub> Conversion to NH<sub>3</sub> by Trapping Single Metal Atoms on Stepped CeO<sub>2</sub>
resolves10.1021/jacs.8b03002Substantial Impact of Charge on Electrochemical Reactions of Two-Dimensional Materials
resolves10.1016/j.jcat.2011.06.015Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study
resolves10.1021/jacs.9b13872Unveiling the Active Structure of Single Nickel Atom Catalysis: Critical Roles of Charge Capacity and Hydrogen Bonding
resolves10.1021/jacs.8b04006Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH
resolves10.1021/jacs.6b08534Reaction Mechanisms for the Electrochemical Reduction of CO<sub>2</sub> to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water
resolves10.1063/1.447334A unified formulation of the constant temperature molecular dynamics methods
resolves10.1021/acscatal.0c05247Mechanism and Active Species in NH<sub>3</sub> Dehydrogenation under an Electrochemical Environment: An <i>Ab Initio</i> Molecular Dynamics Study
resolves10.1021/acs.jpclett.5b02247Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0
resolves10.1021/jacs.1c02186Origin of Selective Production of Hydrogen Peroxide by Electrochemical Oxygen Reduction
resolves10.1021/jp044556aBiased Sampling of Nonequilibrium Trajectories: Can Fast Switching Simulations Outperform Conventional Free Energy Calculation Methods?
resolves10.1021/acs.jpcc.1c04499Identifying a New Pathway for Nitrogen Reduction Reaction on Fe-Doped MoS<sub>2</sub> by the Coadsorption of Hydrogen and N<sub>2</sub>
resolves10.1021/acsmaterialsau.1c00006Transition Metal Chalcogenides as a Versatile and Tunable Platform for Catalytic CO<sub>2</sub> and N<sub>2</sub> Electroreduction
resolves10.1021/acs.jpclett.0c00428Identifying Iron–Nitrogen/Carbon Active Structures for Oxygen Reduction Reaction under the Effect of Electrode Potential
resolves10.1016/j.jcat.2021.02.016Revealing the importance of kinetics in N-coordinated dual-metal sites catalyzed oxygen reduction reaction
resolves10.1016/j.jechem.2021.01.016Catalytic role of assembled Ce Lewis acid sites over ceria for electrocatalytic conversion of dinitrogen to ammonia
resolves10.1039/C5CP07363DOn the mechanism of electrochemical ammonia synthesis on the Ru catalyst
resolves10.1021/acscatal.9b03903Elucidating the Mechanism of Electrochemical N<sub>2</sub> Reduction at the Ru(0001) Electrode
resolves10.1021/jacs.7b05213Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study
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