English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

As an important industrial catalytic material, ZSM-5 zeolites are still facing durability issues. The long-time exposure among high temperature steam during the catalytic reaction becomes the main drawback for ZSM-5 zeolite application in industry. In this study, we investigate the effects of rare-earth-ions (La, Ce, Nd, Sm, Gd, and Dy) doping on the catalytic activity and hydrothermal stability of ZSM-5 zeolites based on density functional theory. The results demonstrate that the introduced rare-earth-ions prefer to adsorb on the top of Al atom (T12 site). The Milliken charge transfer and electron density difference confirm the strong electrostatic interactions between the ZSM-5 zeolites and rare-earth-ions. The activation reaction of butene is investigated to estimate the catalytic activity of rare-earth-ion doped ZSM-5. The results demonstrate that La and Sm doped ZSM-5 zeolites exhibit superior performance on butene activation. In addition, rare-earth-ions decoration show enhanced sodium tolerance performance with decreased affinity toward Na during the catalytic process. This study demonstrated that the modification of rare-earth-ions can effectively improve the hydrothermal stability and catalytic activity of ZSM-5 zeolites.

Investigation on the catalytic activity and Na tolerance performance of rare earth element decorated ZSM-5 zeolite: a first-principle study