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NiH_2分子的结构及其势能函数 被引量:9
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作者 冉呜 黄萍 朱正和 《原子与分子物理学报》 CAS CSCD 北大核心 2003年第1期81-84,共4页
应用群论及原子分子反应静力学方法推导了NiH2 分子基态的电子态及其离解极限 ,在MP2 /6 -311G 水平上 ,优化出NiH2 (X3 Δg)分子稳定构型为D∞h,其平衡核间距Re=0 .15 73nm、∠HNiH =180 .0 0° ,同时计算出振动频率 :对称伸缩振... 应用群论及原子分子反应静力学方法推导了NiH2 分子基态的电子态及其离解极限 ,在MP2 /6 -311G 水平上 ,优化出NiH2 (X3 Δg)分子稳定构型为D∞h,其平衡核间距Re=0 .15 73nm、∠HNiH =180 .0 0° ,同时计算出振动频率 :对称伸缩振动频率ν1=2 0 0 0cm-1,弯曲振动频率ν2 =72 1cm-1和反对称伸缩振动频率ν3 =1875cm-1。在此基础上 ,使用多体项展式理论方法 ,导出了基态NiH2 分子的全空间解析势能函数 ,该势能函数准确地再现了NiH2 (D∞h)平衡结构。 展开更多
关键词 NiH2 二氢化镍 分子结构 势能函数 多体项展式理论 原子分子反应静力学 电子态 离解权限
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3D flower-like heterostructured TiO_2@Ni(OH)_2 microspheres for solar photocatalytic hydrogen production 被引量:4
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作者 Wei Zhang Hongwen Zhang +2 位作者 Jianzhong Xu Huaqiang Zhuang Jinlin Long 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2019年第3期320-325,共6页
TiO2@Ni(OH)2 core-shell microspheres were synthesized by a facile strategy to obtain a perfect 3D flower-like nanostructure with well-arranged Ni(OH)2 nanoflakes on the surfaces of TiO2 microspheres;this arrangement l... TiO2@Ni(OH)2 core-shell microspheres were synthesized by a facile strategy to obtain a perfect 3D flower-like nanostructure with well-arranged Ni(OH)2 nanoflakes on the surfaces of TiO2 microspheres;this arrangement led to a six-fold enhancement in photocatalytic hydrogen evolution. The unique p-n type heterostructure not only promotes the separation and transfer of photogenerated charge carriers significantly, but also offers more active sites for photocatalytic hydrogen production. A photocatalytic mechanism is proposed based on the results of electrochemical measurements and X-ray photoelectron spectroscopy. 展开更多
关键词 3D flower-like core-shell microspheres TiO2 NI(OH)2 Photocatalytic hydrogen production
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Ni(OH)_(2)quantum dots as a stable cocatalyst modifiedα-Fe_(2)O_(3) for enhanced photoelectrochemical water-splitting 被引量:2
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作者 Jiayue Rong Zhenzhen Wang +3 位作者 Jiaqi Lv Ming Fan Ruifeng Chong Zhixian Chang 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2021年第11期1999-2009,共11页
Depositing a cocatalyst has proven to be an important strategy for improving the photoelectrochemical(PEC)water-splitting efficiency of photoanodes.In this study,Ni(OH)2 quantum dots(Ni(OH)2 QDs)were deposited in situ... Depositing a cocatalyst has proven to be an important strategy for improving the photoelectrochemical(PEC)water-splitting efficiency of photoanodes.In this study,Ni(OH)2 quantum dots(Ni(OH)2 QDs)were deposited in situ onto anα-Fe_(2)O_(3)photoanode via a chelation-mediated hydrolysis method.The photocurrent density of the Ni(OH)2 QDs/α-Fe_(2)O_(3)photoanode reached 1.93 mA·cm^(−2)at 1.23 V vs.RHE,which is 3.5 times that ofα-Fe_(2)O_(3),and an onset potential with a negative shift of ca.100 mV was achieved.More importantly,the Ni(OH)2 QDs exhibited excellent stability in maintaining PEC water oxidation at a high current density,which is attributed to the ultra-small crystalline size,allowing for the rapid acceptance of holes fromα-Fe_(2)O_(3)to Ni(OH)_(2)QDs,formation of active sites for water oxidation,and hole transfer from the active sites to water molecules.Further(photo)electrochemical analysis suggests that Ni(OH)_(2)QDs not only provide maximal active sites for water oxidation but also suppress charge recombination by passivating the surface states ofα-Fe_(2)O_(3),thereby significantly enhancing the water oxidation kinetics over theα-Fe_(2)O_(3)surface. 展开更多
关键词 Photoelectrochemical water splitting α-Fe_(2)O_(3) COCATALYST Ni(OH)_(2) Quantum dots
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Catalyses of Metals and Their Sulfides in Selective Hydrogenation of 9,10-Diphenylanthracene 被引量:2
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作者 周仕禄 倪中海 +2 位作者 袁新华 宗志敏 魏贤勇 《Journal of China University of Mining and Technology》 2001年第1期80-82,共3页
Catalytic hydrogenation and hydrocracking of 9,10 diphenylanthracene (9,10 DPA) , used as a coal related model compound, was investigated at a relatively low temperature. The results show that the Fe and Ni mainly cat... Catalytic hydrogenation and hydrocracking of 9,10 diphenylanthracene (9,10 DPA) , used as a coal related model compound, was investigated at a relatively low temperature. The results show that the Fe and Ni mainly catalyze non ipso hydrogenation of 9,10 DPA without sulfur, but selectively promote ipso hydrogenation of 9,10 DPA in the presence of sulfur. 展开更多
关键词 CATALYSIS METAL SULFIDE HYDROGENATION 9 10-diphenylanthracene
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Ni-loaded Catalyst Containing Activated Clay for Maleic Anhydride Hydrogenation to Succinic Anhydride 被引量:3
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作者 Tian Weiping Guo Shaofei Shi Li (The State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237) 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2011年第4期35-40,共6页
In this work, the hydrogenation of maleic anhydride to succinic anhydride in the presence of 5 m%Ni/clay catalysts was investigated. These catalysts were characterized by X-ray diffraction (XRD), H2 temperature prog... In this work, the hydrogenation of maleic anhydride to succinic anhydride in the presence of 5 m%Ni/clay catalysts was investigated. These catalysts were characterized by X-ray diffraction (XRD), H2 temperature programmed reduction (TPR) and thermogravimetric analysis (TGA) techniques. The XRD and TPR studies showed that Ni was present as Ni2+ on the support, which indicated that there were no elemental nickel (Ni^0) and Ni203 species in the unreduced samples. Increasing of calcination temperature to 650 ℃ leads to destruction of the support structure observed in TGA, while the catalyst sample calcined at 550 ℃ exhibits better performances than other samples. The ideal conversion of maleic anhydride (97.14%) and selectivity of succinic anhydride (99.55%) were realized at a reaction temperature of 180 ℃ and a weight hourly space velocity of 4 h^-1 under a reaction pressure of 1 MPa. 展开更多
关键词 maleic anhydride HYDROGENATION succinic anhydride NICKEL
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