Highlighted Publications in Materials Development Applications
Table of Contents
1. Applications in Materials Development
- The Impact of Surface Composition on Tafel Kinetics Leading to Enhance Electrochemical Insertion of Hydrogen in Palladium
- Engineering Palladium Surfaces to Enhance the Electrochemical Storage of Hydrogen
- Prediction of New Metastable HfO₂ Phases: Toward Understanding Ferro and Antiferroelectric Films
- Electronic Properties of NH₄-adsorbed Graphene Nanoribbon as a Promising Candidate for a Gas Sensor
- ATK-ForceField: A New Generation Molecular Dynamics Software Package
- First-principles Green’s-function Method for Surface Calculations: A Pseudopotential Localized Basis Set Approach
- Electron-phonon Scattering from Green’s function Transport Combined with Molecular Dynamics