Ab initio molecular dynamics of H₂ desorption from Si(100)-2 × 1

Keyphrases

• Ab Initio Molecular Dynamics 100%
• Si(111) 100%
• Desorption 100%
• Dianhydride 33%
• Surface Corrugation 33%
• Trajectory Basis 33%
• Molecular Dynamics Trajectories 33%
• Transition State Structure 33%
• Competing Mechanisms 33%

Chemistry

• Desorption 100%
• Molecular Dynamics 100%
• 100-2 100%
• Silicon 33%
• Transition State Structure 33%

Material Science

• Desorption 100%
• Silicon 33%