Theoretical investigation of Zn-containing species in pores of ZSM-5 zeolites

Keyphrases

• Hydrogen Peroxide 100%
• Zeolite Framework 100%
• ZSM-5 Zeolite 100%
• 2-complex 50%
• Five-membered Rings 50%
• OH Groups 50%
• Computational Study 50%
• Functional Level 50%
• Zeolite 50%
• Density Functional 50%
• Desorption Energy 50%
• Zinc Species 50%
• Quantum Clusters 50%

Chemistry

• Desorption 100%
• formation 100%