Adsorption and dissociation of H ₂O on a W(111) surface: A computational study

Keyphrases

• Adsorption 100%
• Hydrogen Peroxide 100%
• Dissociation 100%
• Computational Study 100%
• (111) Surface 100%
• Density Functional Theory 28%
• Dissociative Adsorption 28%
• Hydrogen Bonds (H-bonds) 14%
• Potential Energy Surface 14%
• High-resolution Electron Energy Loss Spectroscopy (HREELS) 14%
• Vibrational Frequencies 14%
• Molecular Dynamics Simulation 14%
• Binding Energy 14%
• Binding Site 14%
• Adsorption Mechanism 14%
• Water Adsorption 14%
• Lone Pair 14%
• Temperature Programmed Desorption 14%
• Frequency Energy 14%
• Wave Approach 14%
• Water Decomposition 14%
• Dehydrogenation Reaction 14%
• Bridge Site 14%
• O-H Bond Activation 14%
• H-systems 14%
• Water Dissociation 14%
• Bond Activation 14%
• Kinetic Rate Constant 14%

Chemistry

• Density Functional Theory 100%
• Dissociative Adsorption 100%
• Vibrational Frequency 50%
• Potential Energy Surface 50%
• Molecular Dynamics 50%
• Binding Energy 50%
• Desorption 50%
• Binding Site 50%
• High Resolution Electron Energy Loss Spectroscopy 50%
• Dehydrogenation 50%
• Degradation Rate 50%

Material Science

• Density 100%
• Desorption 50%
• Surface Energy 50%
• High Resolution Electron Energy Loss Spectroscopy 50%
• Dehydrogenation 50%