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DFT study of the oxidation of Hg0 by O2 on an Mn-doped buckled g-C3N4 catalyst
Liu Shuai,Xu Mengxia,Chen Yipei,Mu Xueliang,Yu Jiahui,Yang Gang,Luo Xiang,Jiang Peng,Wu Tao 한국물리학회 2022 Current Applied Physics Vol.40 No.-
Due to the water-insoluble nature of Hg0, its oxidization to Hg2+, which is water-soluble, is a viable approach for its effective removal at coal-fired plants using existing flue gas desulfurization (FGD) unit. In this study, the adsorption and oxidation of elemental mercury on an Mn-doped g-C3N4 material were investigated. The spinpolarized density functional theory method was adapted to optimize the geometry structures and then to determine the corresponding electronic structures, while the CI-NEB method was adopted to search for the stable intermediates during the reaction(s). The analysis of energy and project density of states shows that the Mn-g- C3N4 exhibits an excellent affinity to Hg atoms. It is found that it is feasible for Hg atoms to oxidize on the Mn-g- C3N4 surface via two possible E-R paths, but with relatively high energy barriers. This research provides insights into a viable way for mercury removal using O2 as the oxidizing agent.
Zhou, Mengxia,Yang, Zhao,Liu, Xingfa,Wang, Yongan,Wu, Xianqiang,Zhang, Cheng,Wei, Yan The Korean Institute of Power Electronics 2021 JOURNAL OF POWER ELECTRONICS Vol.21 No.1
Based on the characteristic parameters of a noise discrimination network (NDN), the Mardiguian network is used as an example to investigate the influence of stray capacitance on the performance of the NDN. The obtained results show that stray capacitance has a significant effect on the performance of the NDN. Considering the influence of stray capacitance, this paper proposes a network optimization method based on the Mardiguian network. The optimization method is superior to the Mardiguian network in performance, and it improves the separation accuracy of differential mode noise.
High Efficiency Colloidal Quantum Dot Photovoltaics via Robust Self-Assembled Monolayers
김기환,F. Pelayo Garcia de Arquer,윤영진,Xinzheng Lan,Mengxia Liu,Oleksandr Voznyy,Zhenyu Yang,Fengjia Fan,Alexander H. Ip,Pongsakorn Kanjanaboos,Sjoerd Hoogland,김진영,Edward H. Sargent 한국고분자학회 2016 한국고분자학회 학술대회 연구논문 초록집 Vol.41 No.1
High-Efficiency Colloidal Quantum Dot Photovoltaics via Robust Self-Assembled Monolayers
Kim, Gi-Hwan,Garcí,a de Arquer, F. Pelayo,Yoon, Yung Jin,Lan, Xinzheng,Liu, Mengxia,Voznyy, Oleksandr,Yang, Zhenyu,Fan, Fengjia,Ip, Alexander H.,Kanjanaboos, Pongsakorn,Hoogland, Sjoerd,Kim, Jin American Chemical Society 2015 NANO LETTERS Vol.15 No.11