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Influences of Surface Substitutional Ti Atom on Hydrogen Adsorption, Dissociation, and Diffusion Behaviors on the α-U(001) Surface

https://doi.org/10.1021/jp505171a
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What this work says

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

inferredcites →https://doi.org/10.1016/0022-3115(96)00163-8openalex-snapshot
Physical discontinuities in the surface microstructure of uranium alloys as preferred sites for hydrogen attack
inferredcites →https://doi.org/10.1016/0022-5088(80)90348-3openalex-snapshot
Nucleation and growth in the hydriding reaction of uranium
inferredcites →https://doi.org/10.1016/0022-5088(81)90036-9openalex-snapshot
Kinetics and mechanism of the U-H reaction
inferredcites →https://doi.org/10.1016/0022-5088(91)90439-bopenalex-snapshot
The kinetics of the hydriding of uranium metal
inferredcites →https://doi.org/10.1016/0039-6028(94)00731-4openalex-snapshot
Reversible work transition state theory: application to dissociative adsorption of hydrogen
inferredcites →https://doi.org/10.1016/j.actamat.2009.06.055openalex-snapshot
Ab-initio calculations of the hydrogen–uranium system: Surface phenomena, absorption, transport and trapping
inferredcites →https://doi.org/10.1016/j.actamat.2009.10.021openalex-snapshot
Ab initio calculations of the uranium–hydrogen system: Thermodynamics, hydrogen saturation of α-U and phase-transformation to UH3
inferredcites →https://doi.org/10.1016/j.electacta.2005.05.015openalex-snapshot
Development of an environmentally friendly protective coating for the depleted uranium–0.75wt.% titanium alloy
inferredcites →https://doi.org/10.1016/j.ijhydene.2008.11.109openalex-snapshot
Hydrogen dissociation and diffusion on transition metal (=Ti, Zr, V, Fe, Ru, Co, Rh, Ni, Pd, Cu, Ag)-doped Mg(0001) surfaces
inferredcites →https://doi.org/10.1016/j.jnucmat.2013.05.005openalex-snapshot
Preferred hydride growth orientation of U−0.79wt.%Ti alloy with β+U2Ti microstructure
inferredcites →https://doi.org/10.1016/j.ssi.2012.11.018openalex-snapshot
A surface science study of the initial stages of hydrogen corrosion on uranium metal and the role played by grain microstructure
inferredcites →https://doi.org/10.1016/s0022-3115(00)00238-5openalex-snapshot
Effect of silicon impurities and heat treatment on uranium hydriding rates
inferredcites →https://doi.org/10.1016/s0925-8388(01)01537-7openalex-snapshot
The effect of N2+ and C+ implantation on uranium hydride nucleation and growth kinetics
inferredcites →https://doi.org/10.1016/s0925-8388(03)00647-9openalex-snapshot
Microtextural investigation of hydrided α-uranium
inferredcites →https://doi.org/10.1016/s0925-8388(96)02505-4openalex-snapshot
Site related nucleation and growth of hydrides on uranium surfaces
inferredcites →https://doi.org/10.1016/s0925-8388(96)03070-8openalex-snapshot
Kinetics and mechanisms of metal hydrides formation—a review
inferredcites →https://doi.org/10.1016/s1359-6454(99)00055-5openalex-snapshot
Aging of α′a martensite in U–0.77Ti
inferredcites →https://doi.org/10.1021/jp206750qopenalex-snapshot
s–d Electronic Interaction Induced H2 Dissociation on the γ-U(100) Surface and Influences of Niobium Doping
inferredcites →https://doi.org/10.1063/1.1323224openalex-snapshot
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
inferredcites →https://doi.org/10.1063/1.1329672openalex-snapshot
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.1601591openalex-snapshot
Potential energy surfaces for the uranium hydriding reaction
inferredcites →https://doi.org/10.1088/0029-5515/54/8/086001openalex-snapshot
A review of modelling and simulation of hydrogen behaviour in tungsten at different scales
inferredcites →https://doi.org/10.1088/0031-8949/75/4/024openalex-snapshot
A density functional study of atomic oxygen and carbon adsorptions on (100) surface of γ-Uranium
inferredcites →https://doi.org/10.1088/0953-8984/20/44/445001openalex-snapshot
Hydrogen adsorption, dissociation and diffusion on the α-U(001) surface
inferredcites →https://doi.org/10.1088/0953-8984/25/26/265001openalex-snapshot
Hydrogen trapping in δ-Pu: insights from electronic structure calculations
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.45.13709openalex-snapshot
Fractional occupations and density-functional energies and forces
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.72.085101openalex-snapshot
Molecular hydrogen adsorption and dissociation on the plutonium (111) surface
inferredcites →https://doi.org/10.1103/physrevb.75.195112openalex-snapshot
Ab initiofull-potential fully relativistic study of atomic carbon, nitrogen, and oxygen chemisorption on the (111) surface of δ−Pu
inferredcites →https://doi.org/10.1103/physrevb.77.094119openalex-snapshot
Evaluation of first-principles techniques for obtaining materials parameters of α -uranium and the (001) α -uranium surface
inferredcites →https://doi.org/10.1103/physrevb.79.165416openalex-snapshot
Adsorption and dissociation of O2 at Be(0001): First-principles prediction of an energy barrier on the adiabatic potential energy surface
inferredcites →https://doi.org/10.1103/physrevb.80.073406openalex-snapshot
Activated dissociation of O2 on Pb(111) surfaces by Pb adatoms
inferredcites →https://doi.org/10.1103/physrevb.82.073406openalex-snapshot
Activated O2 dissociation and formation of oxide islands on Be(0001): An atomistic model for metal oxidation
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.78.1396openalex-snapshot
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
inferredcites →https://doi.org/10.1107/s0567740870002066openalex-snapshot
Neutron diffraction study of α-uranium at low temperatures
inferredcites →https://doi.org/10.1140/epjb/e2009-00031-9openalex-snapshot
Adsorption and dissociation of molecular hydrogen on the (0001) surface of double hexagonal close packed americium
inferredcites →https://doi.org/10.2172/1059058openalex-snapshot
The Hydrogen Corrosion of Uranium: Identification of Underlying Causes and Proposed Mitigation Strategies

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4684625openalex-extracted
First-Principles Study of Adsorption, Dissociation and Diffusion of Oxygen on Α-U (110) Surface
inferred← citeshttps://doi.org/10.1007/s10967-018-5842-0openalex-snapshot
Influence of impurity elements on the corrosion of α-uranium surface: a density functional theory study
inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.03.316openalex-snapshot
Effect of doping Hf on the hydrogen dissociation and diffusion mechanism on the ZrCo (110) surface
inferred← citeshttps://doi.org/10.1016/j.commatsci.2017.12.002openalex-snapshot
Oxygen adsorption and diffusion on γ-U(0 0 1) surface: Effect of titanium
inferred← citeshttps://doi.org/10.1016/j.commatsci.2023.112025openalex-snapshot
The interaction of oxygen with the γ-U (001) and (110) surfaces: An ab initio study
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2025.150584openalex-snapshot
Atomic scale origin of hydrogen induced pitting corrosion in metallic uranium: first principles study of hydrogen behavior at uranium grain boundaries
inferred← citeshttps://doi.org/10.1016/j.jnucmat.2018.08.023openalex-snapshot
Non-isothermal hydrogen desorption from β-UH3: Kinetics and mechanism
inferred← citeshttps://doi.org/10.1016/j.jnucmat.2024.155455openalex-snapshot
First-principles thermodynamical modeling of molecular reactions on α-U(001) and α-UH3(001) surfaces and their influence on hydrogen activation
inferred← citeshttps://doi.org/10.1016/j.matdes.2026.115712openalex-snapshot
Revealing the mechanism of uranium anti hydrogen embrittlement modification: Segregation law and strengthening effect of metal solute doped grain boundaries
inferred← citeshttps://doi.org/10.1016/j.nimb.2019.07.037openalex-snapshot
First principles study of H2O adsorption on U2Ti (1 1 0) surface
inferred← citeshttps://doi.org/10.1016/j.nme.2026.102127openalex-snapshot
Insight into impurities in α-U and hydrogen trapping at impurities from first-principles
inferred← citeshttps://doi.org/10.1016/j.physb.2025.417841openalex-snapshot
Density functional theory (DFT+D3) study on the adsorption of water on the γ-U(100) surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c00052openalex-snapshot
What is the Role of Nb on Preferential Hydriding of Double-Phased Uranium, Stabilizing γ-U, or Avoiding Hydrogen Aggregation?
inferred← citeshttps://doi.org/10.1039/c8fd00140eopenalex-snapshot
Hot electron effects during reactive scattering of H 2 from Ag(111): assessing the sensitivity to initial conditions, coupling magnitude, and electronic temperature
inferred← citeshttps://doi.org/10.1039/c9cp02302jopenalex-snapshot
Influence of Ti on the dissolution and migration of He in ZrCo based on first principles investigation
inferred← citeshttps://doi.org/10.1039/c9cp02491copenalex-snapshot
The performance of adsorption, dissociation and diffusion mechanism of hydrogen on the Ti-doped ZrCo(110) surface
inferred← citeshttps://doi.org/10.1063/5.0208082openalex-snapshot
First-principles study of adsorption, dissociation, and diffusion of hydrogen on α-U (110) surface
inferred← citeshttps://doi.org/10.1088/1361-648x/ab6be7openalex-snapshot
A first-principles study on hydrogen distributions in the α -U/UO 2 interface
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