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

TitleThe crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof
Publication TypeJournal Article
Year of Publication2018
AuthorsLiao, JJ, Yang, F, Wang, CZ, Lin, SW
JournalSensors and Actuators B-Chemical
Volume271
Pagination195-202
Date Published10
Type of ArticleArticle
ISBN Number0925-4005
Accession NumberWOS:000436481200025
Keywordsanodic-stripping voltammetry, calculations, chemistry, crystal facet, density, density-functional theory, Electrochemical detection, Electrochemistry, enhanced photocatalysis, functional theory, Heavy metal ions, Instrumentation, ions, lead(ii), nanosheets, oxide, tailored facets, total-energy, wave basis-set
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. Our work provides an effective route to construct advanced electroanalytical materials for sensing.

DOI10.1016/j.snb.2018.05.067
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