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

Liao, Jianjun; Yang, Fan; Wang, Cai -Zhuang; Lin, Shiwei

doi:10.1016/j.snb.2018.05.067

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

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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 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.

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 Lab., Ames, IA (United States)

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

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.

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                    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.  https://doi.org/10.1016/j.snb.2018.05.067

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                    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.  https://doi.org/10.1016/j.snb.2018.05.067.  https://www.osti.gov/servlets/purl/1460403.

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@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}

}

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

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