| 2011-06 | Accurate Electronic Structures of Eu-Doped SiAlON Green Phosphor with a Semilocal Exchange-Correlation Potential | 정용재 |
| 2014-12 | Achieving a direct band gap in oxygen functionalized-monolayer scandium carbide by applying an electric field | 정용재 |
| 2015-04 | Achieving Type I, II, and III Heterojunctions Using Functionalized MXene | 정용재 |
| 2011-06 | Adsorption and Diffusion of Li and Ni on Graphene with Boron Substitution for Hydrogen Storage: Ab-initio Method | 정용재 |
| 2011-07 | Anisotropic rearrangement of the substrate atoms during Ar bombardment on Pd(0 0 1) surface | 정용재 |
| 2012-05 | Atomic behavior of carbon atoms on a Si removed 3C-SiC (111) surface during the early stage of epitaxial graphene growth | 정용재 |
| 2011-01 | Atomic-Scale Investigation on the Ti/Fe(001) Interface Structure: Molecular Dynamics Simulations and Ab initio Calculations | 정용재 |
| 2011-10 | Atomic-Scale Simulations of Early Stage of Oxidation of Vicinal Si(001) Surfaces Using a Reactive Force-Field Potentials | 정용재 |
| 2016-06 | Band engineering in a van der Waals heterostructure using a 2D polar material and a capping layer | 정용재 |
| 2013-02 | Bandgap engineering of graphene by corrugation on lattice-mismatched MgO (111) | 정용재 |
| 2020-09 | Boosting oxygen evolution reaction of transition metal layered double hydroxide by metalloid incorporation | 정용재 |
| 2015-02 | Carbon-free and two-dimensional cathode structure based on silicene for lithium oxygen batteries: A first-principles calculation | 정용재 |
| 2016-03 | Cathode reaction mechanism on the h-BN/Ni (111) heterostructure for the lithium-oxygen battery | 정용재 |
| 2011-07 | A Comparative Study of Catalytic Partial Oxidation of Methane Over CeO(2) Supported Metallic Catalysts | 정용재 |
| 2014-04 | Comparative study of metal atom adsorption on free-standing h-BN and h-BN/Ni (111) surfaces | 정용재 |
| 2012-06 | Configuration Dependency of Attached Epoxy Groups on Graphene Oxide Reduction: A Molecular Dynamics Simulation | 정용재 |
| 2021-01 | Defect structures of sodium and chloride co-substituted hydroxyapatite and its osseointegration capacity | 정용재 |
| 2014-07 | Defect-induced semiconductor to metal transition in graphene monoxide | 정용재 |
| 2014-09 | Detecting gas molecules via atomic magnetization | 정용재 |
| 2012-08 | Dominant Factors Governing the Rate Capability of a TiO2 Nanotube Anode for High Power Lithium Ion Batteries | 정용재 |
| 2017-09 | Effect of lithium-trapping on nitrogen-doped graphene as an anchoring material for lithium-sulfur batteries: a density functional theory study | 정용재 |
| 2020-08 | Effect of N-cyclic cationic groups in poly(phenylene oxide)-based catalyst ionomer membranes for anion exchange membrane fuel cells | 정용재 |
| 2013-04 | Effect of nitrogen induced defects in Li dispersed graphene on hydrogen storage | 정용재 |
| 2015-03 | Effective catalytic media using graphitic nitrogen-doped site in graphene for a non-aqueous Li-O2 battery: A density functional theory study | 정용재 |
| 2012-06 | Effects of biaxial strains on the magnetic properties of Co-graphene heterojunctions | 정용재 |
| 2012-06 | Effects of In-Plane Magnetization Orientation on Magnetic and Electronic Properties in a Bcc Co (001)/Rock Salt MgO (001)/Bcc Co (001) Magnetic Tunnel Junction System: Ab Initio Calculations | 정용재 |
| 2012-08 | Effects of interfacial bonding in the Si-carbon nanotube nanocomposite: A molecular dynamics approach | 정용재 |
| 2013-02 | Effects of suboxide layers on the electronic properties of Si(100)/SiO2 interfaces: Atomistic multi-scale approach | 정용재 |
| 2012-04 | Effects of uniaxial strains on the magnetic properties and the electronic structures of Fe/graphene system: An ab initio study | 정용재 |
| 2014-08 | Electric field as a novel switch for magnetization of Fe/graphene system | 정용재 |
