Ab initio study of dissolution and precipitation reactions from the edge, kink, and terrace sites of quartz as a function of pH

Keyphrases

• Ab Initio Density Functional Theory 20%
• Ab Initio Study 100%
• Height Data 20%
• Local Arrangements 20%
• Precipitation Process 20%
• Reaction Barrier 20%
• Reaction Profile 20%
• Si Bridge 20%
• Si-OH 40%
• Terraces 100%

Engineering

• Back Reaction 50%
• Dissolution Rate 100%

Material Science

• Density 100%
• Surface Roughness 50%