2019-10-23
org.kosen.entty.User@461f28e2
Computation-Energy-Environment-Device Materials Laboratory
- Computational Tools
-First-Principle Calculation - Density Functional Theory, GW-Quantum Chemistry Calculation - Tight-binding, Hartree Fock, Hybrid Functional-Grand Canonical Monte Carlo - MUSIC
-Multiscale Simulations - ReaxFF, AIREBO
-Quantum Monte Carlo (QMC)- Correlated Materials-Device Simulation - Silvaco
- Research Interests
-Nanomaterials : Graphene, Carbon Nanotubes, Graphyne, MoS2, WS2
-New Dirac Materials: Topological Insulators-Energy Storage : Hydrogen Storage, Lithium or Sodium Ion Battery
-Energy Production : Hydrogen Production (Hydrogen Evolution Reaction)
-Photocatalysts : Water Splitting
-Environment: CO2 and NH3 capture in solids
-Nano-devices : Graphene, Graphyne, Graphdiyne-Strongly Correlated Materials