Valentino R Cooper Distinguished R&D Staff Member and Section Head, Materials Theory, Modeling and Simulation Contact coopervr@ornl.gov | 865.574.5164 All Publications Chloride-reinforced carbon nanofiber host as effective polysulfide traps in lithium-sulfur batteries... Oxygen Vacancy Diffusion in Bulk SrTiO3 from Density Functional Theory Calculations... Tunable One-Dimensional Electron Gas Carrier Densities at Nanostructured Oxide Interfaces... First principles materials design of novel functional oxides... Constructing a magnetic handle for antiferromagnetic manganites... Energy Level Alignment of Self-Assembled Linear Chains of Benzenediamine on Au(111) from First Principles... Enhanced bifunctional oxygen catalysis in strained LaNiO3 perovskites ... Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO3 Perovskites Recent Advances in Two-Dimensional Materials Beyond Graphene... Visualization of electronic density... Rashba Effect in Single-Layer Antimony Telluroiodide SbTeI... Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of th... First principles predictions of van der Waals bonded inorganic crystal structures: Test case, HgCl2... Mini-review of Electron Density Visualization... Understanding Strain-Induced Phase Transformations in BiFeO3 Thin Films... Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3... Correlating Local Structure with Electrochemical Activity in Li2MnO3... Segregation and trapping of oxygen vacancies near the SrTiO3 Σ3 (112) [-110] tilt grain boundary... van der Waals forces in density functional theory: a review of the vdW-DF method... Strain effects on the electronic properties in δ-doped Oxide Superlattices... Facet Dependent Disorder in the Pristine High Voltage Lithium-Manganese-Rich Cathode Material... Coupling of structure and magnetism in the two-dimensional ferromagnet CrI3 Composition dependent intrinsic defect structures in SrTiO3 ... Transparent conducting oxides: A δ-doped superlattice approach... Understanding the Interactions Between Oxygen Vacancies at SrTiO3 (001) Surfaces... Pagination First page « First Previous page ‹‹ … Page 2 Current page 3 Page 4 … Next page ›› Last page Last » Key Links ORCID About Me What I am working on Pint-Sized Science Q. &. A. Future of Energy @ ORNL Advancing the Science of Synthesis Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group Microstructural Evolution Modeling Group Materials Sciences and Engineering Program