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Influence of Solution Concentrations on Surface Morphology and Wettability of ZnO Thin Films
Jianguo Lv,Changlong Liu,Feng Wang,Zhitao Zhou,Zhenfa Zi,Yuan Feng,Xiaoshuang Chen,Feng Liu,Gang He,Shiwei Shi,Xueping Song,Zhaoqi Sun 대한금속·재료학회 2013 ELECTRONIC MATERIALS LETTERS Vol.9 No.2
ZnO thin films were grown on silicon substrates using a hydrothermal method. The XRD patterns show that all of the peaks can be attributed to the wurtzite structures of ZnO. The TC value of (002) plane and average crystal size increase first and then decrease with the increase of solution concentration. SEM and AFM results show that many dense hexagonal cylinder particles have been observed on the surface of the thin films, which grown at 0.08 and 0.10 mol/L. The surface roughness of the thin films deposited at 0.06,0.08, 0.10, and 0.12 mol/L are 24.5, 38.3, 32.0, and 39.4 nm, respectively. Surface wettability results show that the preferential orientation along c-axis and surface roughness contribute significantly to the hydrophobicity. The reversible switching between hydrophobicity and hydrophilicity is related to the synergy of the transition of wetting model, surface crystal structure, and surface roughness.
Monte Carlo Simulation on Kinetics of Batch and Semi-Batch Free Radical Polymerization
Jing Shao,Peng Chen,Wei Tang,Ru Xia,Xiaoshuang Feng,Jiasheng Qian,Changjiang Song 한국고분자학회 2015 Macromolecular Research Vol.23 No.11
Based on Monte Carlo simulation technology, we proposed a hybrid routine which combines reaction mechanism together with coarse-grained molecular simulation to study the kinetics of free radical polymerization. By comparing with previous experimental and simulation studies, we showed the capability of our Monte Carlo scheme on representing polymerization kinetics in batch and semi-batch processes. Various kinetics information, such as instant monomer conversion, molecular weight, and polydispersity etc. are readily calculated from Monte Carlo simulation. The kinetic constants such as polymerization rate kp is determined in the simulation without of “steady-state” hypothesis. We explored the mechanism for the variation of polymerization kinetics those observed in previous studies, as well as polymerization-induced phase separation. Our Monte Carlo simulation scheme is versatile on studying polymerization kinetics in batch and semi-batch processes.
Facile Synthesis of Zn1-xCuxO Nanorods with a Very Broad Visible Band
Jianguo Lv,Changlong Liu,Wanbing Gong,Zhenfa Zi,Xiaoshuang Chen,Kai Huang,Feng Liu,Tao Wang,Gang He,Xueping Song,Zhaoqi Sun 대한금속·재료학회 2012 ELECTRONIC MATERIALS LETTERS Vol.8 No.5
Zn1-xCuxO nanorods with different Cu concentrations are prepared by a hydrothermal method. Bent and aggregated nanorods are obtained, which is attributed to centripetal surface tension of the evaporation and coagulation processes of the water film on the ZnO nanorods. The broad visible band consists of one violet, three blue,and one green emission. The violet emission is due to the transition of electrons from zinc interstitial (Zni)levels to the valance band. The three blue emissions may be attributed to the transition from extended Zni levels, which are slightly below the simple Zni level, to the valance band. The change of the green emission may be the result of competition between oxygen vacancies (VO) and zinc vacancies (VZn).