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This content will become publicly available on May 15, 2019

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

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.
 [1] ;  [1] ;  [2] ;  [1]
  1. Hainan Univ., Haikou (China)
  2. Iowa State Univ., Ames, IA (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 0925-4005; PII: S0925400518309699
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Sensors and Actuators. B, Chemical
Additional Journal Information:
Journal Volume: 271; Journal Issue: C; Journal ID: ISSN 0925-4005
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
Country of Publication:
United States
47 OTHER INSTRUMENTATION; Crystal facet; Electrochemical detection; Heavy metal ions; Density functional theory
OSTI Identifier: