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

Keyphrases

• Ab Initio Molecular Dynamics 100%
• H2 Desorption 100%
• Desorption 50%
• Dianhydride 50%
• Surface Corrugation 50%
• Competition Mechanism 50%
• Transition State Structure 50%
• Trajectory-based 50%
• Molecular Dynamics Trajectories 50%

Chemistry

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