Journal
CHEMICAL ENGINEERING JOURNAL
Volume 402, Issue -, Pages -Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2020.126266
Keywords
Cr(VI) detoxification; Photoelectrocatalytic reduction; Terpyridine-derivatized AuNPs; Cyclic voltammetry; Density functional theory
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Funding
- Chungnam National University
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Detoxification of hexavalent chromium (Cr(VI)) in the environment and development of corresponding new materials and detoxification protocols have actively been studied and applied. Herein, 2,2':6',2 ''-terpyridine-4'-thiol (STpy) was functionalized on Au nanoparticle (NP)-loaded carbon paper (CP) and indium-fin-oxide (ITO) electrodes (CP-AuNP and ITO-AuNP, respectively), and the photoelectrochemical (PEC) and photocatalytic detoxification of Cr(VI) using the resulting electrodes was investigated by cyclic voltammetry. Density functional theory at the B3LYP/6-31G level was used for geometry optimization, and the electronic energy state calculation was conducted at the TD-SCF/DFT/B3LYP level. For bare CP, ITO, and STpy-modified AuNP electrodes, the reduction potentials of Cr(VI) were around +0.3, -0.2 V, and +0.5 V (vs. Ag/AgCl), respectively. The PEC and photocatalytic Cr(VI) reduction performance of CP-AuNP was significantly improved upon STpy functionalization. Thus, these newly developed functionalized systems can provide very useful information for further improving the detoxification performances for various hazardous metals.
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