Photo-active and optical properties of bismuth ferrite (BiFeO3): an experimental and theoretical study
Files in This Item:
|Photo-active and Optical Properties of Bismuth Ferrite (BiFeO3) done.pdf||583.72 kB||Adobe PDF||Download|
|Title:||Photo-active and optical properties of bismuth ferrite (BiFeO3): an experimental and theoretical study||Authors:||McDonnell, Kevin
English, Niall J.
|Permanent link:||http://hdl.handle.net/10197/4903||Date:||May-2013||Abstract:||An experimental and a hybrid density functional theory study of the photo-active and optical properties of bismuth ferrite are presented. Phase-pure photo-catalytically active BFO was prepared experimentally with a 28% degradation of methyl orange observed over a 7- hour period. Direct and indirect band gaps were measured to be 2.10 and 1.92 eV, respectively. BFO was also studied computationally with the use of hybrid density functional theory, quite suitable for such a multiferroelectric material. This led to excellent, semiquantitative agreement between hybrid DFT and experimental approaches for absorption coefficients.||Funding Details:||Science Foundation Ireland||Type of material:||Journal Article||Publisher:||Elsevier||Copyright (published version):||2013 Elsevier||Keywords:||Bismuth ferrite;Absorption;Density functional theory;Optical properties||DOI:||10.1016/j.cplett.2013.04.024||Language:||en||Status of Item:||Peer reviewed|
|Appears in Collections:||Mechanical & Materials Engineering Research Collection|
Show full item record
Page view(s) 20117
This item is available under the Attribution-NonCommercial-NoDerivs 3.0 Ireland. No item may be reproduced for commercial purposes. For other possible restrictions on use please refer to the publisher's URL where this is made available, or to notes contained in the item itself. Other terms may apply.