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

The structure model of Al-doped ZnO (001) and (100) surface adsorbing NO 2  is constructed. Based on the first-principles method of density functional theory, the energy band, adsorption energy and density of state are calculated using the Castep software package. The Al doping significantly increases the energy and adsorption energy of ZnO(001) and ZnO(100) crystal plane systems, and promotes the transfer of charge from NO 2  to ZnO(001) and ZnO(100) surface, which promotes the Fermi energy level to move to the high energy potential, resulting in the decrease of the band gap width, thereby enhancing the adsorption capacity of NO 2  gas molecules.

First-principles study on the adsorption of NO 2 gas on Al-doped ZnO (001) and (100) surfaces