Hydrogen desorption rate and surface hydrogen coverage during isothermal annealing for Si2H6-adsorbed Si(100) surfaces

Adsorption of hydrogen atoms on the Si(1

Adsorption of hydrogen atoms on the Si(100)-2×1 surface: implications for the H2 desorption mechanism

✍ Christine J. Wu; Emily A. Carter 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 558 KB

The adsorption of atomic hydrogen on the reconstructed Si ( lOO)-2 x I surface is studied using embedded Si clusters as models of an extended Si surface. Analytic gradients of generalized valence bond (GVB) wavefunctions are used to predict equilibrium structures and harmonic vibrational frequencies