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Tengzhou Ma,Tingting Hu,Dandan Jiang,Jinli Zhang,Wei Li,You Han,Banu Örmeci 한국화학공학회 2018 Korean Journal of Chemical Engineering Vol.35 No.4
Supercritical water oxidation (SCWO) of penicillin (PCN) was investigated under different operating conditions. The chemical oxygen demand (COD) removal rate could reach 99.4% at 400 oC, 24MPa, 1min and oxidation coefficient (OC) of 2. Experimental results showed that COD removal had no significant dependence on temperature and pressure variations. By contrast, COD removal could be significantly promoted with OC increasing from 0 to 2.0, but the effect was negligible as the OC further increased; similarly, longer residence time than a definite value seemed to contribute little to COD removal. Initial and deeper degradation pathways of penicillin were proposed based on the reactive force field (ReaxFF) molecular dynamics (MD) simulations. By tracing the evolution of intermediates, the migration routes of S and N during the SCWO process were obtained with H2S and NO2 produced as the corresponding products. Simulation results showed that SCW and oxidant not only accelerated the degradation by producing highly reactive radicals or molecules, but also participated in reactions by serving as H and O sources. Moreover, catalysis of water clusters in C-heteroatom bond cleavage was also observed.
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Investigation of Photoelectrochemical Water Splitting for Mn-Doped In2O3 Film
Xianke Sun,Xinhe Fu,Tingting You,Qiannan Zhang,Liuyang Xu,Xiaodong Zhou,Honglei Yuan,Kuili Liu 대한금속·재료학회 2018 ELECTRONIC MATERIALS LETTERS Vol.14 No.6
Undoped and Mn-doped In 2 O 3 fi lms were prepared by radiofrequency magnetron sputtering technique. The eff ects of Mn dopingon the structural and optical properties of as-prepared fi lms were investigated using X-ray diff raction, X-ray photoelectronspectroscopy and ultraviolet–visible spectroscopy. Mn doping can enhance the intensity of (222) peak in Mn-doped In 2 O 3thin fi lm, indicating Mn dopant promotes preferred orientation of crystal growth along (222) plane. XPS analyses revealedthat the doped Mn ions exist at + 2 oxidation states, substituting for the In 3+ sites in the In 2 O 3 lattice. UV–Vis measurementsshow that the optical band gap E g decreases from 3.33 to 2.87 eV with Mn doping in In 2 O 3 , implying an increasing sp–dexchange interaction in the fi lm. Our work demonstrates a practical means to manipulate the band gap energy of In 2 O 3 thinfi lm via Mn impurity doping, and signifi cantly improves the photoelectrochemical activity.
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