NDLI: Photocatalytic reactivity of {121} and {211} facets of brookite TiO<sub>2</sub> crystals

Content Provider	Royal Society of Chemistry (RSC)
Author	Ye, Jinhua Zhao, Ming Xu, Hua Umezawa, Naoto Wang, Defa Chen, Hungru Ouyang, Shuxin
Copyright Year	2015
Abstract	For the facet engineering of brookite TiO2, the surface atomic structure is known but the electronic structure has been rarely studied to date. Herein, we investigated both the surface atomic and electronic structure of brookite TiO2 with various facets exposed. Theoretical calculations reveal that the {121} surface contains more undercoordinated Ti atoms and a higher surface energy than that of the {211} surface, and the experimental results show that brookite TiO2 nanorods exposed with majority {121} facets (T121) have a lower valence band (VB) potential; those above-mentioned superior properties enable T121 to show excellent performance in RhB photodegradation. Nevertheless, the electronic structure analyzed from the Density of State (DOS) plots revealed that the electron density is dispersed in the bulk for TiO2 covered with a {121} surface, indicating that the electrons might be more reluctant to migrate from bulk to surface, which might be the reason for the poor H2 productivity of T121. In contrast, brookite TiO2 nanosheets exposed with dominant {211} facets (T211) exhibited a much higher conduction band (CB) potential resulting in a much higher H2 evolution rate (801 μmol h−1) in photocatalytic water splitting. Accordingly, combining the analyses of the surface atomic structure and electronic band structure, it is suggested that, for brookite TiO2, the {121} surface is beneficial for photocatalytic oxidation reactions while the {211} surface can facilitate the photocatalytic reduction process.
Starting Page	2331
Ending Page	2337
Page Count	7
File Format	HTM / HTML PDF
ISSN	20507488
Volume Number	3
Issue Number	5
Journal	Journal of Materials Chemistry A
DOI	10.1039/c4ta06087c
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	State CB Brookite Surface energy Valence and conduction bands Photodegradation Carabiner Photocatalytic water splitting Electronic band structure
Content Type	Text
Resource Type	Article
Subject	Chemistry Renewable Energy, Sustainability and the Environment Materials Science

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Controllable synthesis of Bi₄O₅Br₂ ultrathin nanosheets for photocatalytic removal of ciprofloxacin and mechanism insight

Coupling surface plasmon resonance of gold nanoparticles with slow-photon-effect of TiO₂ photonic crystals for synergistically enhanced photoelectrochemical water splitting

Achieving overall water splitting using titanium dioxide-based photocatalysts of different phases

A three-dimensional graphitic carbon nitride belt network for enhanced visible light photocatalytic hydrogen evolution

Synthesis, stability, and intrinsic photocatalytic properties of vanadium diselenide

Efficient band structure tuning, charge separation, and visible-light response in ZrS₂-based van der Waals heterostructures

Understanding the advantage of hexagonal WO₃ as an efficient photoanode for solar water splitting: a first-principles perspective

Facile preparation and enhanced photocatalytic H₂-production activity of Cu(OH)₂ cluster modified TiO₂

Spontaneously polarized lithium-doped zinc oxide nanowires as photoanodes for electrical water splitting

Photocatalytic reactivity of {121} and {211} facets of brookite TiO₂ crystals

Similar Documents

Controllable synthesis of Bi4O5Br2 ultrathin nanosheets for photocatalytic removal of ciprofloxacin and mechanism insight

Coupling surface plasmon resonance of gold nanoparticles with slow-photon-effect of TiO2 photonic crystals for synergistically enhanced photoelectrochemical water splitting

Achieving overall water splitting using titanium dioxide-based photocatalysts of different phases

A three-dimensional graphitic carbon nitride belt network for enhanced visible light photocatalytic hydrogen evolution

Synthesis, stability, and intrinsic photocatalytic properties of vanadium diselenide

Efficient band structure tuning, charge separation, and visible-light response in ZrS2-based van der Waals heterostructures

Understanding the advantage of hexagonal WO3 as an efficient photoanode for solar water splitting: a first-principles perspective

Facile preparation and enhanced photocatalytic H2-production activity of Cu(OH)2 cluster modified TiO2

Spontaneously polarized lithium-doped zinc oxide nanowires as photoanodes for electrical water splitting

Photocatalytic reactivity of {121} and {211} facets of brookite TiO2 crystals

Controllable synthesis of Bi₄O₅Br₂ ultrathin nanosheets for photocatalytic removal of ciprofloxacin and mechanism insight

Coupling surface plasmon resonance of gold nanoparticles with slow-photon-effect of TiO₂ photonic crystals for synergistically enhanced photoelectrochemical water splitting

Efficient band structure tuning, charge separation, and visible-light response in ZrS₂-based van der Waals heterostructures

Understanding the advantage of hexagonal WO₃ as an efficient photoanode for solar water splitting: a first-principles perspective

Facile preparation and enhanced photocatalytic H₂-production activity of Cu(OH)₂ cluster modified TiO₂

Photocatalytic reactivity of {121} and {211} facets of brookite TiO₂ crystals