Mina Yoon Senior R&D Staff & Group Leader, Microstructural Evolution Modeling Group Contact MYOON@ORNL.GOV All Publications Binding and Diffusion of Lithium in Graphite: Quantum Monte-Carlo benchmarks and validation of van der Waals density functional methods Spatially Resolved One-Dimensional Boundary States in Graphene-Hexagonal Boron Nitride Planar Heterostructures ... Weak competing interactions control assembly of strongly bonded TCNQ ionic acceptor molecules on silver surfaces... Controlled Vapor Phase Growth of Single Crystalline, Two-Dimensional GaSe Crystals with High Photoresponse ... Highly Sensitive Phototransistors Based on Two-Dimensional GaTe Nanosheets with Direct Bandgap... Exceptional Optoelectronic Properties of Hydrogenated Bilayer Silicene Laser Interactions for the Synthesis and In Situ Diagnostics of Nanomaterials Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods Hybrid density functional theory meets quasiparticle calculations:a consistent electronic structure approach... How the shape of catalyst nanoparticles determines their crystallographic orientation during carbon nanofiber growth Finite-Temperature Hydrogen Adsorption/Desorption Thermodynamics Driven by Soft Vibration Modes Nature of the band gap and origin of the electro-/photo-activity of Co3O4 CO Oxidation on supported single Pt atoms - Experimental and Ab Initio density functional studies of CO interaction with Pt atom on theta-alumina(010) surface Highly Responsive Ultrathin GaS Nanosheet Photodetectors on Rigid and Flexible Substrates... Surface-Induced Orientation Control of CuPc Molecules for the Epitaxial Growth of Highly Ordered Organic Crystals on Graphene... Benchmarking van der Waals Density Functionals with Experimental Data: Potential Energy Curves for H2 Molecules on Cu(111), (100), and (110) Surfaces Understanding Metal Directed-Assembly Growth of Single-Crystal Organic Nanowires: Time-Resolved, In-Situ X-Ray Diffraction an... Enhanced dipole moments in photo-excited TTF-TCNQ dimers First-Principles Theoretical Studies of Hydrogen Interaction with Ultrathin Mg and Mg-based Alloy Films Equilibrium structure of ferrofluid aggregates... Interaction between hydrogen molecules and metallofullerenes. Energetics and Kinetics of Ti Clustering on Neutral and Charged C60 Surfaces Electron Transfer and Localization in Endohederal Metallofullerenes... Calcium as a superior coating metal in functionalization of carbon fullerenes for high-capacity hydrogen storage Charged Fullerenes as High Capacity Hydrogen Storage Media... Pagination First page « First Previous page ‹â¶Ä¹ … Page 3 Current page 4 Page 5 Next page ›â¶Äº Last page Last » Key Links Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Microstructural Evolution Modeling Group
