Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance upgrade on Thursday 4th of May 2017 from 8.00am to 9.00am (BST).

During this time our websites will be offline temporarily. If you have any questions please use the feedback button on this page. We apologise for any inconvenience this might cause and thank you for your patience.


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
Please wait while Download options loads

Publication details

The article was received on 18 Oct 2013, accepted on 21 Nov 2013 and first published on 22 Nov 2013


Article type: Paper
DOI: 10.1039/C3TA14191H
Citation: J. Mater. Chem. A, 2014,2, 6092-6099
  •   Request permissions

    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

Search articles by author