2018
DOI: 10.1016/j.snb.2018.05.067
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The crystal facet-dependent electrochemical performance of TiO2 nanocrystals for heavy metal detection: Theoretical prediction and experimental proof

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… Show more

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Cited by 34 publications
(11 citation statements)
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“…Under UV irradiation, reduction of U(VI) into surface-bound compounds was observed. Adsorption of Pb(II) over a (101) surface of anatase was studied computationally by Zhang et al [64]. The computed adsorption energy was −215 kJ/mol, which is very large, possibly due to the absence of any solvent in the computational model.…”
Section: Adsorption Over Tio 2 Surfacesmentioning
confidence: 99%
“…Under UV irradiation, reduction of U(VI) into surface-bound compounds was observed. Adsorption of Pb(II) over a (101) surface of anatase was studied computationally by Zhang et al [64]. The computed adsorption energy was −215 kJ/mol, which is very large, possibly due to the absence of any solvent in the computational model.…”
Section: Adsorption Over Tio 2 Surfacesmentioning
confidence: 99%
“…The changes in the DOS of Ce, O, and Pb atoms are shown in Figure a. It is clearly seen that several newborn orbital hybrid peaks emerged in the total DOS of Ce-doped α-MoO 3 /Pb (in black dotted frame), which suggests more stable adsorption configuration of Pb­(II) on Ce-doped α-MoO 3 than that on α-MoO 3 . Besides, the adsorptive energy of Pb­(II) adsorbed on Ce-doped α-MoO 3 (−2.40 eV) was much lower than that adsorbed on α-MoO 3 (−1.50 eV).…”
Section: Resultsmentioning
confidence: 99%
“…The TiO 2 decorated on the surface of Ti 3 C 2 T X was helpful to improve the electrocatalytic activity, and TiO 2 could also promote the adsorption of heavy metal ions. 16,17,38 According to the comparison of two groups (NiMOF/GCE and NiMOF-600/GCE, Ti 3 C 2 T X /GCE with Ti 3 C 2 T X -600/GCE), the pyrolysis process enhanced the electrochemical properties of NiMOF and Ti 3 C 2 T X . In Fig.…”
Section: Resultsmentioning
confidence: 99%