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Theoretical Exploration of the Thermodynamic Process Competition between NRR and HER on Transition-Metal-Doped CoP (101) Facets

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adma.201602441openalex-snapshot
Fe‐Doped CoP Nanoarray: A Monolithic Multifunctional Catalyst for Highly Efficient Hydrogen Generation
inferredcites →https://doi.org/10.1002/adma.201700001openalex-snapshot
Amorphizing of Au Nanoparticles by CeO x –RGO Hybrid Support towards Highly Efficient Electrocatalyst for N 2 Reduction under Ambient Conditions
inferredcites →https://doi.org/10.1002/aenm.201700020openalex-snapshot
Enhanced Electrocatalysis for Energy‐Efficient Hydrogen Production over CoP Catalyst with Nonelectroactive Zn as a Promoter
inferredcites →https://doi.org/10.1002/aenm.201800369openalex-snapshot
A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions
inferredcites →https://doi.org/10.1002/anie.201609533openalex-snapshot
Electrocatalytic Synthesis of Ammonia at Room Temperature and Atmospheric Pressure from Water and Nitrogen on a Carbon‐Nanotube‐Based Electrocatalyst
inferredcites →https://doi.org/10.1002/celc.201901417openalex-snapshot
Tungsten‐Doped CoP Nanoneedle Arrays Grown on Carbon Cloth as Efficient Bifunctional Electrocatalysts for Overall Water Splitting
inferredcites →https://doi.org/10.1002/jcc.20495openalex-snapshot
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
inferredcites →https://doi.org/10.1002/smtd.201800204openalex-snapshot
Hierarchical Cobalt Phosphide Hollow Nanocages toward Electrocatalytic Ammonia Synthesis under Ambient Pressure and Room Temperature
inferredcites →https://doi.org/10.1016/j.cattod.2016.05.008openalex-snapshot
Recent progress towards the electrosynthesis of ammonia from sustainable resources
inferredcites →https://doi.org/10.1016/j.cattod.2016.06.014openalex-snapshot
Progress in the Electrochemical Synthesis of Ammonia
inferredcites →https://doi.org/10.1016/j.nanoen.2018.03.059openalex-snapshot
Metal-organic framework-derived nitrogen-doped highly disordered carbon for electrochemical ammonia synthesis using N2 and H2O in alkaline electrolytes
inferredcites →https://doi.org/10.1016/j.nanoen.2018.11.034openalex-snapshot
Electronic structure and d-band center control engineering over M-doped CoP (M = Ni, Mn, Fe) hollow polyhedron frames for boosting hydrogen production
inferredcites →https://doi.org/10.1016/s1872-2067(20)63622-1openalex-snapshot
First-principles study of catalytic activity of W-doped cobalt phosphide toward the hydrogen evolution reaction
inferredcites →https://doi.org/10.1021/acsaem.8b00609openalex-snapshot
Cu-Doped CoP Nanorod Arrays: Efficient and Durable Hydrogen Evolution Reaction Electrocatalysts at All pH Values
inferredcites →https://doi.org/10.1021/j100007a062openalex-snapshot
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena
inferredcites →https://doi.org/10.1021/jacs.7b12101openalex-snapshot
A Spectroscopic Study on the Nitrogen Electrochemical Reduction Reaction on Gold and Platinum Surfaces
inferredcites →https://doi.org/10.1021/jacs.8b07472openalex-snapshot
Metal-Free Single Atom Catalyst for N 2 Fixation Driven by Visible Light
inferredcites →https://doi.org/10.1021/jacs.8b13165openalex-snapshot
Single-Boron Catalysts for Nitrogen Reduction Reaction
inferredcites →https://doi.org/10.1023/a:1019073208575openalex-snapshot
Structure sensitivity in adsorption: CO interaction with stepped and reconstructed Pt surfaces
inferredcites →https://doi.org/10.1038/376238a0openalex-snapshot
Why gold is the noblest of all the metals
inferredcites →https://doi.org/10.1038/nchem.386openalex-snapshot
One electron at a time
inferredcites →https://doi.org/10.1039/c4cs00085dopenalex-snapshot
Challenges in reduction of dinitrogen by proton and electron transfer
inferredcites →https://doi.org/10.1039/c4ta02368dopenalex-snapshot
Template-assisted synthesis of CoP nanotubes to efficiently catalyze hydrogen-evolving reaction
inferredcites →https://doi.org/10.1039/c7sc00840fopenalex-snapshot
Electrocatalytic synthesis of ammonia by surface proton hopping
inferredcites →https://doi.org/10.1039/c8cy01105bopenalex-snapshot
Mn doped CoP nanoparticle clusters: an efficient electrocatalyst for hydrogen evolution reaction
inferredcites →https://doi.org/10.1039/c8ee00076jopenalex-snapshot
Construction of hierarchical Ni–Co–P hollow nanobricks with oriented nanosheets for efficient overall water splitting
inferredcites →https://doi.org/10.1039/c9cc06385dopenalex-snapshot
A pyrolysis–phosphorization approach to fabricate carbon nanotubes with embedded CoP nanoparticles for ambient electrosynthesis of ammonia
inferredcites →https://doi.org/10.1039/d0nr01359eopenalex-snapshot
Recent advancement in the electrocatalytic synthesis of ammonia
inferredcites →https://doi.org/10.1039/p29930000799openalex-snapshot
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
inferredcites →https://doi.org/10.1063/1.1316015openalex-snapshot
From molecules to solids with the DMol3 approach
inferredcites →https://doi.org/10.1063/1.472829openalex-snapshot
Treatment of the outlying charge in continuum solvation models
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Coordination Engineering in Zirconium-Nitrogen-Functionalized Materials for N2 Reduction: A First-Principles Simulation
inferred← citeshttps://doi.org/10.1002/celc.202500196openalex-snapshot
Statistical Approach to the Free‐Energy Diagram of the Nitrogen Reduction Reaction on Mo 2 C MXene
inferred← citeshttps://doi.org/10.1002/chem.202300204openalex-snapshot
A Plasmon Resonance Enhanced Photo‐Electrode to Promote NH3 Yield in Sustainable N2 Conversion
inferred← citeshttps://doi.org/10.1002/eom2.70100openalex-snapshot
Beyond Initial Adsorption: Solvated First‐Hydrogenation Kinetics Govern Potential‐Dependent NRR – HER Selectivity on Dual‐Atom Catalysts
inferred← citeshttps://doi.org/10.1002/qua.27081openalex-snapshot
Structural characteristics of metal (Ni, Cu) doped cobalt phosphide catalysts and mechanism of catalytic hydrogen evolution of NH3BH3
inferred← citeshttps://doi.org/10.1002/smll.202401546openalex-snapshot
High‐Energy Facet Engineering for Electrocatalytic Applications
inferred← citeshttps://doi.org/10.1007/s10853-022-07311-8openalex-snapshot
A first-principles investigation of nitrogen reduction to ammonia on zirconium nitride and oxynitride surfaces
inferred← citeshttps://doi.org/10.1007/s41918-023-00186-6openalex-snapshot
Pathways of the Electrochemical Nitrogen Reduction Reaction: From Ammonia Synthesis to Metal-N2 Batteries
inferred← citeshttps://doi.org/10.1016/j.apcatb.2022.121831openalex-snapshot
Electrochemical synthesis of monodispersed and highly alloyed PtCo nanoparticles with a remarkable durability towards oxygen reduction reaction
inferred← citeshttps://doi.org/10.1016/j.cclet.2026.112689openalex-snapshot
Advancements in electrocatalytic nitrogen reduction to ammonia
inferred← citeshttps://doi.org/10.1016/j.est.2024.114389openalex-snapshot
Promoted cycling performance of metallic phosphide cathode for Na O2 batteries
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2022.02.223openalex-snapshot
Iron doped mesoporous cobalt phosphide with optimized electronic structure for enhanced hydrogen evolution
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2025.04.190openalex-snapshot
Heteronuclear transition metal decorated C2N monolayer: Promising catalysts for nitrogen reduction reactions
inferred← citeshttps://doi.org/10.1016/j.jallcom.2025.180155openalex-snapshot
Synergistic effects of dual-doping with Ce and Zr in CoP nanoneedle for highly-efficiency hydrogen evolution reaction and overall water splitting at high current density
inferred← citeshttps://doi.org/10.1016/j.jcis.2025.139551openalex-snapshot
Amorphous CoO-SnO2 Nanocubes with dual sites enable efficient Electrocatalytic Ammonia synthesis via pathway switching
inferred← citeshttps://doi.org/10.1016/j.surfin.2025.107181openalex-snapshot
Theoretical investigation of nitrate reduction on CoP (010): Adsorption behavior, reaction mechanism, and selectivity towards ammonia
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.4c02424openalex-snapshot
Recent Progress and Outlook on Metal Phosphides for Nitrogen Gas Electrocatalytic Ammonia Synthesis
inferred← citeshttps://doi.org/10.1021/acs.iecr.5c00474openalex-snapshot
Effects of Different Alcohol Solvents on the Micromorphology of MnMoO4 and Their Electrocatalytic Performance in Ammonia Synthesis
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c04855openalex-snapshot
Effective Utilization of Low NO Concentration for the Electrochemical Synthesis of NH3
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c00781openalex-snapshot
Coordination Engineering in Zirconium–Nitrogen-Functionalized Materials for N2 Reduction: A First-Principles Simulation
inferred← citeshttps://doi.org/10.1021/acsami.2c08534openalex-snapshot
Cu/CuO x In-Plane Heterostructured Nanosheet Arrays with Rich Oxygen Vacancies Enhance Nitrate Electroreduction to Ammonia
inferred← citeshttps://doi.org/10.1021/acsanm.5c02398openalex-snapshot
Review of TiO2-Based Nanocatalysts for Photocatalytic Nitrogen Reduction to Ammonia
inferred← citeshttps://doi.org/10.1039/d2nj04535dopenalex-snapshot
The electronic structures of non-metal (N, S) doped cobalt phosphide catalysts and the catalytic mechanism for the hydrogen evolution reaction of ammonia borane: a theoretical study
inferred← citeshttps://doi.org/10.1039/d2nj05475bopenalex-snapshot
Hollow metal composite phosphides derived from MOFs as highly efficient and durable bifunctional electrocatalysts for water splitting
inferred← citeshttps://doi.org/10.1039/d2qm00931eopenalex-snapshot
Self-supported electrocatalysts for the hydrogen evolution reaction
inferred← citeshttps://doi.org/10.1039/d3dt00686gopenalex-snapshot
NaCl template-assisted construction of a CoP–MoP heterostructured electrocatalyst for electrocatalytic nitrogen reduction
inferred← citeshttps://doi.org/10.1039/d5cp03528gopenalex-snapshot
Screening copper-based single-atom alloy catalysts for electrochemical nitrogen reduction
inferred← citeshttps://doi.org/10.3390/coatings15070755openalex-snapshot
A Theoretical Study on Electrocatalytic Nitrogen Reduction at Boron-Doped Monolayer/Bilayer Black Phosphorene Edges
inferred← citeshttps://doi.org/10.3390/cryst12121744openalex-snapshot
First Principles Study of Double Boron Atoms Supported on Graphitic Carbon Nitride (g-C3N4) for Nitrogen Electroreduction
inferred← citeshttps://doi.org/10.3390/molecules28124597openalex-snapshot
Role of Peripheral Coordination Boron in Electrocatalytic Nitrogen Reduction over N-Doped Graphene-Supported Single-Atom Catalysts
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