Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 17, 2014
Previous Article Next Article

The electronic structure of silver orthophosphate: experiment and theory

Author affiliations

Abstract

Since the original discovery of the water-splitting activity of silver orthophosphate (Ag3PO4), considerable effort has been devoted to improving its photocatalytic activity and stability through morphology control and the design of multi-component electrode systems. Relatively little attention, however, has been paid to understanding the fundamental electronic properties of this material. Using X-ray photoelectron spectroscopy and hybrid density functional theory (DFT) calculations, we have studied the electronic structure of Ag3PO4. Our results indicate that hybrid DFT calculations closely reproduce the structural, electronic, and optical properties of Ag3PO4. From further analysis of the experimental and theoretical electronic structure data we have constructed a revised molecular orbital diagram for Ag3PO4 that highlights the strong covalent interactions formed in the tetrahedral PO4 structural units.

Graphical abstract: The electronic structure of silver orthophosphate: experiment and theory

Back to tab navigation

Article information


Submitted
18 Oct 2013
Accepted
21 Nov 2013
First published
22 Nov 2013

J. Mater. Chem. A, 2014,2, 6092-6099
Article type
Paper

The electronic structure of silver orthophosphate: experiment and theory

J. M. Kahk, D. L. Sheridan, A. B. Kehoe, D. O. Scanlon, B. J. Morgan, G. W. Watson and D. J. Payne, J. Mater. Chem. A, 2014, 2, 6092
DOI: 10.1039/C3TA14191H

Social activity

Search articles by author

Spotlight

Advertisements