Bibliographic Details
| Title: |
Hydrogen-mediated polarity compensation on the (110) surface terminations of ABO3 perovskites. |
| Authors: |
Fung, Victor1 (AUTHOR), Hu, Guoxiang1 (AUTHOR), Wu, Zili1,2 (AUTHOR), Jiang, De-en3,4 (AUTHOR) de-en.jiang@vanderbilt.edu |
| Superior Title: |
Journal of Chemical Physics. 11/7/2023, Vol. 159 Issue 17, p1-7. 7p. |
| Subject Terms: |
*PEROVSKITE, *ELECTRON donors, *SURFACE chemistry, *ELECTROPHILES, *HYDROGEN atom, *SURFACE stability |
| Abstract: |
Polar surfaces undergo polarity compensation, which can lead to significantly different surface chemistry from their nonpolar counterparts. This process in turn can substantially alter the binding of adsorbates on the surface. Here, we find that hydrogen binds much more strongly to the polar (110) surface than the nonpolar (100) surface for a wide range of ABO3 perovskites, forming a hydroxyl layer on the O24− termination and a hydride layer on the ABO4+ termination of the (110) surface. The stronger adsorption on the polar surfaces can be explained by polarity compensation: hydrogen atoms can act as electron donors or acceptors to compensate for the polarity of perovskite surfaces. The relative stability of the surface terminations is further compared under different gas environments and several perovskites have been found to form stable surface hydride layers under oxygen-poor conditions. These results demonstrate the feasibility of creating stable surface hydrides on perovskites by polarity compensation which might lead to new hydrogenation catalysts based on ABO3 perovskites. [ABSTRACT FROM AUTHOR] |
|
Copyright of Journal of Chemical Physics is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| Database: |
Academic Search Premier |
