Title

Photoelectrochemical Analysis Of Band Gap Modulated Tio2 For Photocatalytic Water Splitting

Keywords

Density functional theory; Electron hole pair; Folic acid; Photoelectrode

Abstract

In this study the photocatalysis efficiency of titania (TiO2) is increased by conjugating it with folic acid (FA) molecules through a silane linker (APTMS) layer. Electrochemical testing demonstrated higher negative open circuit potential (OCP) in surface engineered TiO2 as compared to TiO2 indicating higher Schottky barrier leading to suppressed electron–hole pair recombination. The photocurrent density under no bias conditions demonstrated 55% increase in modified titania due to lower band gap and suppressed electron hole pair recombination. The mechanism behind higher photocatalytic properties of surface engineered TiO2 was derived using density functional theory (DFT).

Publication Date

4-13-2017

Publication Title

International Journal of Hydrogen Energy

Volume

42

Issue

15

Number of Pages

9938-9944

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1016/j.ijhydene.2017.01.232

Socpus ID

85017391735 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/85017391735

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