Paul Kent Distinguished R&D Staff Contact KENTPR@ORNL.GOV All Publications Effects of Partial La Filling and Sb Vacancy Defects on CoSb3 Skutterudites... Competing antiferromagnetism in a quasi-2d itinerant ferromagnet: Fe3GeTe2 Itinerant Antiferromagnetism in RuO2... A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density funct... Atomic Defects in Monolayer Titanium Carbide (Ti3C2Tx) MXene Grain Boundary Stability and Influence on Ionic Conductivity in a Disordered Perovskite – a First-Principles Investigation ... Evaluating and Optimizing the NERSC Workload on Knights Landing... Phase Stability of TiO2 Polymorphs from Diffusion Quantum Monte Carlo... Atomic Defects in Monolayer Titanium Carbides (Ti3C2Tx) MXene... Control Electronic Properties of 2D Carbides (MXenes) by Manipulating their Transition Metal Layers... Crystal Structures, Surface Stability and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Exper... Oxygen Vacancy Diffusion in Bulk SrTiO3 from Density Functional Theory Calculations Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magneli phase... Tunable One-Dimensional Electron Gas Carrier Densities at Nanostructured Oxide Interfaces... Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe3GeTe2... Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces... Nanoscale elastic changes in two-dimensional Ti3C2Tx (MXene) pseudocapacitive electrodes... Control of Electronic Properties of 2D Carbides (MXenes) by Manipulating Their Transition Metal Layers... Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Experimental Studies Nanoscale Elastic Changes in 2D Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> (MXene) Pseudocapacitive Electrodes Effect of Metal Ion Intercalation on the Structure of MXene and Water Dynamics on its Internal Surfaces Ultrathin Nanosheets of CrSiTe3: A Semiconducting Two-Dimensional Ferromagnetic Material Competitive Lithium Solvation of Linear and Cyclic Carbonates from Quantum Chemistry Rashba Effect in Single-Layer Antimony Telluroiodide SbTeI... Pagination First page « First Previous page ‹‹ … Page 3 Current page 4 Page 5 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID LinkedIn IMPACT@ORNL GitHub Center for Predictive Simulation of Functional Materials 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
