Paul Kent Distinguished R&D Staff Contact KENTPR@ORNL.GOV All Publications Single-site and monolayer surface hydration energy of anatase and rutile nanoparticles using density functional theory... Structures, Energetics, and Electronic Properties of Layered Materials and Nanotubes of Cadmium Chalcogenides... Modeling Water Adsorption on Rutile (110) Using Van Der Waals Density Functional and DFT + U Methods... Density functional study of the structure, stability and oxygen reduction activity of ultrathin platinum nanowires... Spin-Resolved Self-Doping Tunes the Intrinsic Half-Metallicity of AlN Nanoribbons ... Polaronic transport and current blockades in epitaxial silicide nanowires and nanowire arrays Tuning From Half-Metallic to Semiconducting Behavior in SiC Nanoribbons... Hybrid Density Functional Study of Structural and Electronic Properties of Functionalized Tin+1Xn (X=C, N) Monolayers... Dynamic Load Balancing for Petascale Quantum Monte Carlo Applications: The Alias Method Modeling water adsorption on rutile (110) using van der Waals density functional and DFT+U methods Structure and Growth of Quasi One-Dimensional YSi2 Nanophases on Si(100) Trustworthy Predictions Structure-Activity Relationship of Zirconia Surface on Formation of Hydroxyl Groups and Its Influence on CO Oxidation... Solid-electrolyte Interphase Formation and Electrolyte Reduction at Li-ion Battery Graphite Anodes: A First- Principles Molec... Diffusion Quantum Monte Carlo study of the equation of state and point defects in aluminum Comment on "Structure and dynamics of liquid water on rutile TiO2(110)... Detection of hydrogen using graphene... Understanding controls on interfacial wetting at epitaxial graphene: Experiment and Theory Understanding controls on interfacial wetting at epitaxial graphene: Experiment and Theory... Novel cooperative interactions and structural ordering in H2S-H2... The Role of Polytetrahedral Structures in the Elongation and Rupture of Gold Nanowires... Role of hydroxyl groups on the stability and catalytic activity of Au nanoparticles on rutile surface... Anomalous Lattice Dynamics near Ferroelectric Instability in PbTe Formation, characterization and dynamics of onion like carbon structures from nanodiamonds using reactive force-fields for electrical energy storage Simple Impurity Embedded in a Spherical Jellium: Approximations of Density Functional Theory compared to Quantum Monte Carlo Benchmarks Pagination First page « First Previous page ‹â¶Ä¹ … Page 5 Current page 6 Page 7 … Next page ›â¶Äº Last page Last » Key Links Curriculum Vitae Organizations Computing and Computational Sciences Directorate Computational Sciences and Engineering Division Advanced Computing Methods for Physical Sciences Section Computational Chemistry and Nanomaterials Sciences Group Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory and Computation Section Nanomaterials Theory Institute Group
