The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof

doi:10.1016/j.snb.2018.05.067

Title: The crystal facet-dependent electrochemical performance of TiO ₂ nanocrystals for heavy metal detection: Theoretical prediction and experimental proof

Full Record
Other Related Research

Abstract

Tailored design/fabrication of electroanalytical materials with highly-active exposed crystal planes is of great importance for the development of electrochemical sensing. In this work, combining experimental and theoretical efforts, we reported a facile strategy to fabricate TiO ₂ nanocrystals with tunable electrochemical performance for heavy metal detection. Density functional theory (DFT) calculations indicated that TiO ₂ (001) facet showed relative larger adsorption energy and lower diffusion energy barrier toward heavy metal ions, which is favorable for obtaining better electrochemical stripping behaviors. Based on this prediction, a series of TiO ₂ nanocrystals with different ratios of exposed (001) and (101) facets were synthesized. Electrochemical stripping experiments further demonstrated that with the increase of the percentage of exposed (001) facet, the sensitivity toward Pb(II) and Cd(II) was increased accordingly. When the percentage of exposed (001) facet was increased from 7% to 80%, the sensitivity increased by 190% and 93% for Pb(II) and Cd(II), respectively. In conclusion, our work provides an effective route to construct advanced electroanalytical materials for sensing.

Authors:

Liao, Jianjun ^[1]; Yang, Fan ^[1]; Wang, Cai -Zhuang ^[2]; Lin, Shiwei ^[1]

Hainan Univ., Haikou (China)
Iowa State Univ., Ames, IA (United States)

Publication Date:: 2018-05-15

Research Org.:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI Identifier:: 1460403

Alternate Identifier(s):: OSTI ID: 1591684

Report Number(s):: IS-J-9705
Journal ID: ISSN 0925-4005; PII: S0925400518309699

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: Sensors and Actuators. B, Chemical

Additional Journal Information:: Journal Volume: 271; Journal Issue: C; Journal ID: ISSN 0925-4005

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 47 OTHER INSTRUMENTATION; Crystal facet; Electrochemical detection; Heavy metal ions; Density functional theory

Citation Formats


                    Liao, Jianjun, Yang, Fan, Wang, Cai -Zhuang, and Lin, Shiwei. The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof.  United States: N. p., 2018. 
        Web.  doi:10.1016/j.snb.2018.05.067.

Copy to clipboard


                    Liao, Jianjun, Yang, Fan, Wang, Cai -Zhuang, & Lin, Shiwei. The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof.  United States.  doi:10.1016/j.snb.2018.05.067.

Copy to clipboard


                    Liao, Jianjun, Yang, Fan, Wang, Cai -Zhuang, and Lin, Shiwei. Tue .  
        "The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof".  United States.  doi:10.1016/j.snb.2018.05.067.  https://www.osti.gov/servlets/purl/1460403.

Copy to clipboard


                    
@article{osti_1460403,

  title        = {The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof},

  author       = {Liao, Jianjun and Yang, Fan and Wang, Cai -Zhuang and Lin, Shiwei},

  abstractNote = {Tailored design/fabrication of electroanalytical materials with highly-active exposed crystal planes is of great importance for the development of electrochemical sensing. In this work, combining experimental and theoretical efforts, we reported a facile strategy to fabricate TiO2 nanocrystals with tunable electrochemical performance for heavy metal detection. Density functional theory (DFT) calculations indicated that TiO2 (001) facet showed relative larger adsorption energy and lower diffusion energy barrier toward heavy metal ions, which is favorable for obtaining better electrochemical stripping behaviors. Based on this prediction, a series of TiO2 nanocrystals with different ratios of exposed (001) and (101) facets were synthesized. Electrochemical stripping experiments further demonstrated that with the increase of the percentage of exposed (001) facet, the sensitivity toward Pb(II) and Cd(II) was increased accordingly. When the percentage of exposed (001) facet was increased from 7% to 80%, the sensitivity increased by 190% and 93% for Pb(II) and Cd(II), respectively. In conclusion, our work provides an effective route to construct advanced electroanalytical materials for sensing.},

  doi          = {10.1016/j.snb.2018.05.067},

  journal      = {Sensors and Actuators. B, Chemical},

  number       = C,

  volume       = 271,

  place        = {United States},

  year         = {2018},

  month        = {5}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Accepted Manuscript (DOE)

Publisher's Version of Record

DOI: 10.1016/j.snb.2018.05.067

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 3 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Design of a novel dual Z-scheme photocatalytic system composited of Ag{sub 2}O modified Ti{sup 3+} self doped TiO{sub 2} nanocrystals with individual exposed (001) and (101) facets

Journal Article Li, Mengyan ; Liu, Hui ; Liu, Tingting ; ... - Materials Characterization

A novel dual Z-scheme photocatalytic system composited of Ag{sub 2}O nanocrystals modified Ti{sup 3+} self doped TiO{sub 2} nanocrystals with individual exposed (001) and (101) facets were successfully fabricated. In which, the Ti{sup 3+} self doped TiO{sub 2} nanocrystals with individual exposed (001) and (101) facets have been firstly prepared by a simple hydrothermal method, subsequently the as-prepared products were modified with Ag{sub 2}O nanocrystals through a sonochemical depositing process in order to build a novel dual Z-scheme photocatalytic system. The samples were carefully characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), UV–visible diffuse reflectancemore »« less
DOI: 10.1016/J.MATCHAR.2016.12.011
Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO ₂ Nanocrystals and Its Implication on Photocatalytic Activity

Journal Article Liu, Jue ; Olds, Daniel ; Peng, Rui ; ... - Chemistry of Materials

The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO ₂ nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO ₂ nanocrystals can be effectively obtained from the diffractionmore »« less
DOI: 10.1021/acs.chemmater.7b01172
Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO ₂ Nanocrystals and Its Implication on Photocatalytic Activity

Journal Article Liu, Jue ; Olds, Daniel ; Peng, Rui ; ... - Chemistry of Materials

The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO ₂ nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO ₂ nanocrystals can be effectively obtained from the diffractionmore »« less
Cited by 14
DOI: 10.1021/acs.chemmater.7b01172

Full Text Available
Pt-TiO{sub 2} microspheres with exposed {001} facets for degradation of formaldehyde in air: Formation mechanism and enhanced visible light photocatalytic activity

Journal Article Wang, Jia ; Wang, Junting ; Wu, Xiaoyong ; ... - Materials Research Bulletin

Highlights: • TiO{sub 2} microspheres with exposed {001} facets were successfully synthesized. • Pt-TiO{sub 2} catalyst combined the properties of Pt nanoparticles and TiO{sub 2} {001} facet. • The catalyst exhibited an enhanced visible-light photocatalytic activity. • The formation mechanism of TiO{sub 2} microspheres with exposed {001} facets was studied. - Abstract: In this study, TiO{sub 2} microspheres with exposed {001} facets were successfully synthesized by a low-temperature hydrothermal method without using any organic solvents as morphology controlling agent. Furthermore, an active Pt-TiO{sub 2} catalyst was prepared by impregnation and deposition-precipitation methods with reduction processes. The photocatalytic activity of themore »« less
DOI: 10.1016/J.MATERRESBULL.2017.01.050
Kinetics and Mechanism of Methanol Conversion over Anatase Titania Nanoshapes

Journal Article Foo, Guo Shiou ; Hu, Guoxiang ; Hood, Zachary D. ; ... - ACS Catalysis

The kinetics and mechanism of methanol dehydration, redox, and oxidative coupling were explored at 300 °C under dilute oxygen concentration over anatase TiO ₂ nanoplates and truncated-bipyramidal nanocrystals in order to understand the surface structure effect of TiO ₂. The two TiO ₂ nanoshapes displayed both (001) and (101) facets, with a higher fraction of the (001) facet exposed on the nanoplates, while truncated-bipyramidal nanocrystals were dominated by the (101) facet. A kinetic study using in situ titration with ammonia reflects that the active sites for methanol dehydration are acidic and nonequivalent in comparison to redox and oxidative coupling. Inmore »« less
Cited by 11
DOI: 10.1021/acscatal.7b01456

Full Text Available

Similar Records

Title: The crystal facet-dependent electrochemical performance of TiO 2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof

Abstract

Citation Formats

Title: The crystal facet-dependent electrochemical performance of TiO ₂ nanocrystals for heavy metal detection: Theoretical prediction and experimental proof