Near Surface Stoichiometry in UO2: A Density Functional Theory Study

Near Surface Stoichiometry in UO2: A Density Functional Theory Study

The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near...

Full description

Saved in:

Bibliographic Details
Main Authors:	Jianguo Yu, Billy Valderrama, Hunter B. Henderson, Michele V. Manuel, Todd Allen
Format:	Article
Language:	English
Published:	Wiley 2015-01-01
Series:	Journal of Chemistry
Online Access:	http://dx.doi.org/10.1155/2015/142510
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

A Study on the Stoichiometry of One-Dimensional Nanostructures
by: Keivan Davami, et al.
Published: (2015-01-01)

Investigating Pre-service Chemistry Teachers’ Problem Solving Strategies: Towards Developing a Framework in Teaching Stoichiometry
by: Allen A. Espinosa, et al.
Published: (2016-07-01)

The Effect of Stoichiometry on Hydrogen Embrittlement of Ordered Ni3Fe Intermetallics
by: Y. X. Chen, et al.
Published: (2015-01-01)

Temperature effects on Xe bubble structure and grain boundary migration in UO2: A molecular dynamics simulation
by: Zhen Guo, et al.
Published: (2025-03-01)

Density-functional theory formulated in terms of functional integrals
by: Gérald Faussurier
Published: (2025-01-01)

Density Functional Theory Investigation into the B and Ga Doped Clean and Water Covered γ-Alumina Surfaces
by: Lihong Cheng, et al.
Published: (2017-01-01)

Effects of water nutrient concentrations on stream macroinvertebrate community stoichiometry: a large-scale study
by: Beck, Miriam, et al.
Published: (2024-07-01)

Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy
by: Lu Liu, et al.
Published: (2021-12-01)

Density Functional Theory Study on Conformers of Benzoylcholine Chloride
by: Mustafa Karakaya, et al.
Published: (2013-01-01)

Use of citation analysis to predict the outcome of the 2001 Research Assessment Exercise for Unit of Assessment (UoA) 61: Library and Information Management
by: Alison Holmes, et al.
Published: (2001-01-01)

The Effects of Mixing, Reaction Rates, and Stoichiometry on Yield for Mixing Sensitive Reactions—Part I: Model Development
by: Syed Imran A. Shah, et al.
Published: (2012-01-01)

Elemental stoichiometry and insect chill tolerance: evolved and plastic changes in organismal Na+ and K+ content in Drosophila
by: Sarah C. Chalmer, et al.
Published: (2024-12-01)

Increase of Curie point of BaTiO3 ceramics by stoichiometry, point defects and doping processing
by: Jianquan Qi, et al.
Published: (2025-02-01)

Molecular structures and adsorption of dyes on bismuth oxychloride surfaces using density functional theory and Monte Carlo dynamic simulation
by: Tadesse Lemma Wakjira, et al.
Published: (2025-01-01)

Neural Density Functional Theory of Liquid-Gas Phase Coexistence
by: Florian Sammüller, et al.
Published: (2025-01-01)

Density functional theory study of Mg–Ho intermetallic phases
by: Yang Yuting, et al.
Published: (2024-12-01)

Agonistic anti-NKG2D antibody structure reveals unique stoichiometry and epitope compared to natural ligands
by: Daniel Fallon, et al.
Published: (2024-12-01)

Adsorption Properties of NF3 and N2O on Al- and Ga-Doped Graphene Surface: A Density Functional Theory Study
by: Qilin Yi, et al.
Published: (2022-01-01)

Eberhard Schockenhoff, Etyka życia. Podstawy i nowe wyzwania, tłum. K. Glombik, Redakcja Wydawnictw Wydziału Teologicznego UO, Opole 2014, ss. 611.
by: Krzysztof Smykowski
Published: (2015-06-01)

Characterizations of some near-continuous functions and near-open functions
by: C. W. Baker
Published: (1986-01-01)

A Novel Approach to Density Near-Zero Acoustic Metamaterials
by: Milan Sečujski, et al.
Published: (2015-01-01)

Transonic Turbulence and Density Fluctuations in the Near-Sun Solar Wind
by: L.-L. Zhao, et al.
Published: (2025-01-01)

Electronic Properties of Antiperovskite Materials from State-of-the-Art Density Functional Theory
by: M. Bilal, et al.
Published: (2015-01-01)

Generalised stacking fault energies of copper alloys - density functional theory calculations
by: Muzyk M., et al.
Published: (2019-01-01)

Electronic and Optical Properties of Sodium Niobate: A Density Functional Theory Study
by: Daniel Fritsch
Published: (2018-01-01)

Interaction Study of Oxygen and Iron-Sulfur Clusters Based on the Density Functional Theory
by: Jiancun Gao, et al.
Published: (2022-01-01)

Exact-exchange relativistic density functional theory in three-dimensional coordinate space
by: Qiang Zhao, et al.
Published: (2025-01-01)

Experimental and Numerical Investigation of the Ground Shock Coupling Factor for Near-Surface Detonations
by: Timothy W. Shelton, et al.
Published: (2014-01-01)

Electronic, Structural and Vibrational Properties of GaP Diamondoids and Nanocrystals: A Density Functional Theory Study
by: Mudar Ahmed Abdulsattar, et al.
Published: (2015-05-01)

Spectroscopic, quantum chemical, and topological calculations of the phenylephrine molecule using density functional theory
by: Mukesh Khadka, et al.
Published: (2025-01-01)

Almost complex surfaces in the nearly Kaehler S6
by: Sharief Deshmukh
Published: (1992-01-01)

From density functional theory to machine learning predictive models for electrical properties of spinel oxides
by: Yuval Elbaz, et al.
Published: (2024-05-01)

Impact of radiofrequency sputtering power on the stoichiometry of a Cu2ZnSnS4 layer film prepared from a single quaternary target
by: Saleh N. Alamri
Published: (2025-12-01)

Physicochemical, Spectral, and Biological Studies of Mn(II), Cu(II), Cd(II), Zr(OH)2(IV), and UO2(VI) Compounds with Ligand Containing Thiazolidin-4-one Moiety
by: Dinesh Kumar, et al.
Published: (2014-01-01)

Theoretical Study of the Adsorption of 2-Propanol onto Silica Surfaces on the Basis of and Density Functional Calculations
by: Mariam R. Abdallah, et al.
Published: (2009-04-01)

A density functional theory investigation of the substituent effect on acyclovir and guanine derivatives for applications on energetic materials
by: Luciana Amorim da Silva, et al.
Published: (2024-12-01)

Consistent Atomic Geometries and Electronic Structure of Five Phases of Potassium Niobate from Density-Functional Theory
by: Falko Schmidt, et al.
Published: (2017-01-01)

Experimental and Density Functional Theory Characteristics of Ibrutinib, a Bruton’s Kinase Inhibitor Approved for Leukemia Treatment
by: Ali I. Ismail
Published: (2021-01-01)

Microscopic Properties of Capacitor Insulating Oil under External Electric Field Based on Density Functional Theory
by: Meijuan Shi, et al.
Published: (2024-01-01)

A cross-entropy corrected hybrid multiconfiguration pair-density functional theory for complex molecular systems
by: Rulin Feng, et al.
Published: (2025-01-01)