4d transition-metal doped hematite for enhancing photoelectrochemical activity: theoretical prediction and experimental confirmation. Issue 25 (21st March 2015)

• Record Type: Journal Article
• Authors: Pan, Haijun; Meng, Xiangying; Cai, Jiajia; Li, Song; Qin, Gaowu
• Is Part Of: RSC advances. Volume 5:Issue 25(2015)
• Page Start: 19353
• Page End: 19361
• Publication Date: 2015-03-21
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/c4ra12825g
• Languages: English
• ISSNs: 2046-2069

Abstract

<abstract abstract-type="toc"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <graphic position="anchor" id="ga" xlink:href="ark:/27927/pgj416m8bz" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />To explore the photoelectrochemical efficiency of hematite as a photoanode, we comprehensively investigate the electronic structures of hematite doped with 4d transition-metal X (X = Y, Zr, Mo, Tc, Rh, and Ru) based on the density-functional theory (DFT).</p> </abstract>