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富勒烯[4,6]-(C_(24))n(n=1,2,4,8)及相应的BN团簇的理论研究
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作者 苗树青 邓盛珏 《吉首大学学报(自然科学版)》 CAS 2013年第6期61-65,共5页
用AM1半经验量子化学方法,对富勒烯[4,6]-(C24)n(n=1,2,4,8)及相应的BN完全取代物进行几何构型优化和频率分析.计算结果表明,BN团簇及相应的全碳富勒烯的稳定性均随对称性的变化而呈现相似的递变规律;BN取代增强了体系的稳定性,使得BN... 用AM1半经验量子化学方法,对富勒烯[4,6]-(C24)n(n=1,2,4,8)及相应的BN完全取代物进行几何构型优化和频率分析.计算结果表明,BN团簇及相应的全碳富勒烯的稳定性均随对称性的变化而呈现相似的递变规律;BN取代增强了体系的稳定性,使得BN团簇有望在实验室中得到;各分子的净电荷分布为实验室寻找分子反应的活性部位提供了理论依据. 展开更多
关键词 [4 6]-富勒烯 BN团簇 结构 稳定性
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Rational construction of cross-linked porous nickel arrays for efficient oxygen evolution reaction 被引量:3
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作者 Kaili Zhang Shengjue Deng +5 位作者 Yu Zhong Yadong Wang Jianbo Wu Xiuli Wang Xinhui Xia Jiangping Tu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2019年第7期1063-1069,共7页
It is important but challenging to design and fabricate an efficient and cost-effective electrocatalyst for the oxygen evolution reaction(OER). Herein, we report free-standing 3 D nickel arrays with a cross-linked por... It is important but challenging to design and fabricate an efficient and cost-effective electrocatalyst for the oxygen evolution reaction(OER). Herein, we report free-standing 3 D nickel arrays with a cross-linked porous structure as interesting and high-performance electrocatalysts for OER via a facile one-step electrodeposition method. The 3 D nickel arrays are strongly anchored on the substrate, forming self-supported electrocatalysts with reinforced structural stability and high electrical conductivity. Because of their increased active surface area, abundant channels for electron/ion transportation and enhanced electronic conductivity, the designed 3 D nickel arrays exhibit superior electrocatalytic OER performance with a low overpotential(496 mV at 50 mA cm–2) and a small Tafel slope(43 mV dec–1) as well as long-term stability(no decay after 24 h) in alkaline solution. Our proposed rational design strategy may open up a new way to construct other advanced 3 D porous materials for widespread application in electrocatalysis. 展开更多
关键词 Oxygen evolution reaction Nickel arrays ELECTROCATALYSIS Porous structure ELECTRODEPOSITION
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Facile synthesis and photoelectrochemical properties of novel TiN/C3N4/CdS nanotube core/shell arrays 被引量:2
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作者 Changzhi Ai Li Tong +5 位作者 Zhipeng Wang Xidong Zhang Guizhen Wang Shengjue Deng Jin Li Shiwei Lin 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2020年第10期1645-1653,共9页
Recently, the g-C3N4-based heterojunctions have been widely investigated for their greatly enhanced photogenerated carrier separation efficiency. However, most studies are based on the study of g-C3N4 powders. In this... Recently, the g-C3N4-based heterojunctions have been widely investigated for their greatly enhanced photogenerated carrier separation efficiency. However, most studies are based on the study of g-C3N4 powders. In this study, a novel TiN/C3N4/CdS nanotube arrays core/shell structure is designed to improve the photoelectrochemical catalytic performance of the g-C3N4-based heterojunctions. Among them, TiN nanotube arrays do not respond to simulated solar light, and thus only serve as an excellently conductive nanotube arrays backbone for supporting g-C3N4/CdS heterojunctions. g-C3N4 prepared by simple liquid atomic layer deposition, which possesses appropriate energy band position, mainly acts as the electron acceptor to transport and separate electrons. Deposited CdS quantum dots obtained by successive ionic layer adsorption reaction can effectively absorb visible light and thus act as a light absorber. The TiN/C3N4/CdS nanotube arrays core/shell structure could be verified by X-ray diffractions, Raman spectra, scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy elemental mappings and X-ray photoelectron spectroscopy. Compared with TiN/C3N4 nanotube arrays, the TiN/C3N4/CdS samples greatly improve the photoelectrochemical performance, which can be evaluated by photoelectrochemical tests and photoelectrochemical catalytic degradation. Especially, the optimized photocurrent density of TiN/C3N4/CdS has almost 120 times improvement on TiN/C3N4 at 0 V bias under simulated sunlight, which can be ascribed to the effective expansion of the light absorption range and separation of electron-hole pairs. 展开更多
关键词 TIN g-C3N4/CdS PEC catalysis Degradation Nanotube arrays
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