Thermal Stability of Organic Monolayers Grafted to Si(111): Insights from ReaxFF Reactive Molecular Dynamics Simulations

Keyphrases

• Thermal Stability 100%
• Si(111) 100%
• Organic Molecules 100%
• Organic Monolayers 100%
• Reactive Molecular Dynamics 100%
• Dehydrogenation 100%
• Si-C 100%
• ReaxFF Molecular Dynamics 100%
• Carbon Backbone 66%
• Methyl Groups 66%
• Alkyl Chain 66%
• Thermal Decomposition Mechanism 66%
• Surface Grafting 66%
• Desorption 33%
• High Thermal Stability 33%
• Chemical Kinetics 33%
• Surface Coverage 33%
• Propyl 33%
• Alkyl 33%
• Dehydrogenation Reaction 33%
• Hydrogenated 33%
• Ethyl 33%
• Chemical Mechanism 33%
• H Atoms 33%
• C-H Bond 33%
• Bond Strength 33%
• Silicon Surface 33%
• Si-H Bonds 33%
• Si(111) Surface 33%
• 1-alkenes 33%
• Methylene Group 33%
• Homolytic Cleavage 33%
• Thermal Decomposition Kinetics 33%
• Decomposition Pathway 33%
• Si Lattice 33%
• Dehydrogenation Mechanism 33%

Chemistry

• Molecular Dynamics 100%
• Dehydrogenation 100%
• Reactive Molecular Dynamics 100%
• Thermal Stability 100%
• Organic Molecule 60%
• Methyl Group 40%
• Desorption 20%
• Ethyl 20%
• Alkene 20%
• Silicon 20%
• Pyrolysis 20%
• Dissociation Energy 20%
• Silyl 20%
• Methylene Group 20%
• Propane 20%
• Pentobarbital 20%

Material Science

• Thermal Stability 100%
• Monolayers 100%
• Dehydrogenation 100%
• Silicon 20%
• Desorption 20%