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Atomic-scale mechanism of ammonia-iron interaction in pipelines: Molecular NH3 adsorption and dissociation on iron

https://doi.org/10.2139/ssrn.7584053
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Dissociative adsorption of hydrogen at edge dislocation emergence on α-Fe studied by density functional theory
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Stress corrosion cracking of steels in liquid ammonia: A comprehensive literature review
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Ammonia: A versatile candidate for the use in energy storage systems
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A comparative theoretical study of the mechanism of ammonia decomposition on various Co/Ni catalysts using density functional theory
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Computational Methods in Heterogeneous Catalysis
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Review on Ru-Based and Ni-Based Catalysts for Ammonia Decomposition: Research Status, Reaction Mechanism, and Perspectives
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Ammonia as a Carbon-Free Energy Carrier: NH 3 Cracking to H 2
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Ammonia as a Green Carbon-Free Fuel: A Pathway to the Sustainable Energy Economy
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Theoretical Study of NH3 Adsorption on Fe(110) and Fe(111) Surfaces
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Mechanistic Investigation of the Catalytic Decomposition of Ammonia (NH 3 ) on an Fe(100) Surface: A DFT Study
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Chemical heterogeneity enhances hydrogen resistance in high-strength steels
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Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis
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Reactant-induced dynamics of lithium imide surfaces during the ammonia decomposition process
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Prospects and challenges of green ammonia synthesis
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Ammonia as a renewable energy carrier from synthesis to utilization
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A fresh perspective on metal ammonia molecular complexes and expanded metals: opportunities in catalysis and quantum information
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How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH 3
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Correlation between the structural features and intrinsic activity trend of Fe surfaces for ammonia synthesis
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Ammonia as a carbon-free hydrogen carrier for fuel cells: a perspective
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Green ammonia: revolutionizing sustainable energy for a carbon-free future
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Kinetic modeling of ammonia and hydrogen dissociative co-adsorption on iron surface and its effect on hydrogen embrittlement
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Alternative reaction mechanisms of ammonia reduction of iron oxide examined using density functional theory modelling
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Density functional theory in surface chemistry and catalysis
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Composition, structure, and stability of RuO 2 ( 110 ) as a function of oxygen pressure
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Generalized Gradient Approximation Made Simple
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Evaluation of Liquid Ammonia SCC Susceptibility of Steels by Low-Temperature, Low-Pressure Test
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