Abstract:Oxygen evolution reaction (OER) is closely related to numerous energy-related applications so that developing high-activity, durable and cost-effective electrocatalysts for OER has been an inevitable trend. Prussian blue analogues (PBAs), a kind of metal organic frameworks (MOFs), which have been paid more attention in the filed of electrocatalysis because of unique framework structure and adjustable components. Herein, we synthesis a series of Ni-Co PBAs via modulating metal ratio by a coprecipitation method and then anneal the as-prepared Ni-Co PBAs, which used as OER catalysts. We found that as the increasing of nickel content, the size of catalysts decreases, which resulting in an increasing of specific surface area and electrochemical active sites, thereby improving the performance of OER. Furthermore, benefiting from the minimum size with largest specific area, largest electrochemical active surface area with different and abundant active sites, the Ni-Co-31 oxides shows a small overpotential of 340 mV at a current density of 10 mAocm-2, a small Tafel slope of 89 mVodec-1, which is superior to other catalysts prepared. This work proves the great significance of PBAs derivatives with different metal ratios for OER performance, which is meaningful for the preparation and mass production of efficient electrocatalysts.

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	1. Modulating Prussian Blue Analogues-derived Binary Metal Oxides for Efficient Oxygen Evolution Catalysts
	XIAO Shenghuan,YANG Yang,ZHANG Yunhuai
	Chemistry 18 May 2020
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	Abstract:Oxygen evolution reaction (OER) is closely related to numerous energy-related applications so that developing high-activity, durable and cost-effective electrocatalysts for OER has been an inevitable trend. Prussian blue analogues (PBAs), a kind of metal organic frameworks (MOFs), which have been paid more attention in the filed of electrocatalysis because of unique framework structure and adjustable components. Herein, we synthesis a series of Ni-Co PBAs via modulating metal ratio by a coprecipitation method and then anneal the as-prepared Ni-Co PBAs, which used as OER catalysts. We found that as the increasing of nickel content, the size of catalysts decreases, which resulting in an increasing of specific surface area and electrochemical active sites, thereby improving the performance of OER. Furthermore, benefiting from the minimum size with largest specific area, largest electrochemical active surface area with different and abundant active sites, the Ni-Co-31 oxides shows a small overpotential of 340 mV at a current density of 10 mAocm-2, a small Tafel slope of 89 mVodec-1, which is superior to other catalysts prepared. This work proves the great significance of PBAs derivatives with different metal ratios for OER performance, which is meaningful for the preparation and mass production of efficient electrocatalysts.
	TO cite this article:XIAO Shenghuan,YANG Yang,ZHANG Yunhuai. Modulating Prussian Blue Analogues-derived Binary Metal Oxides for Efficient Oxygen Evolution Catalysts[OL].[18 May 2020] http://en.paper.edu.cn/en_releasepaper/content/4752128


	2. Theoretical Investigations of 4-dimethylaminobenzonitrile (DMABN): Dual fluorescence and Resonance Raman spectras
	LIU Li-Qian, LIANG Wan-Zhen
	Chemistry 24 May 2016
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	Abstract: 4-dimethylaminobenzonitrile (DMABN) has been intensively studied due to its solvent-dependent dual fluorescence and nonlinear optical properties. This work presents a systematically theoretical investigations on the electronic structure property, dual fluorescence mechanism and NRS and RRS spectra in gas phase and methanol solvent. The density functional theory or time-dependent DFT (TDDFT) coupled with polarizable continuum model (PCM) is adopted to describe the molecule in methanol solution. It is concluded that the solvent and hydrogen bond effects reduce the energy gap of locally excited (LE) and charge transfer (CT) states; The fluorescence mechanism of DMABN in gas phase and methanol solvent is different in gas phase, the single normal fluorescence is chiefly emitted from the LE state through the internal conversion from CT to LE state. In methanol solvent, the normal fluorescence may be emitted from the LE state and the redshifted fluorescence comes from the CT state. It is confirmed that the intramolecular charge transfer (ICT) reaction from the LE state to CT state leads to the dual fluorescence in polar solvent. To further validate our conclusion, NRS and RRS calculated with the vertical gradient (VG) approximation which nicely yields the positions and relative magnitude order of band intensities compared with the experiment. With the inclusion of the strong vibration coupling of the LE and CT states, and the Herzberg-Teller (HT) vibronic coupling effect, the calculated spectra agree well with the experimental spectra..
	TO cite this article:LIU Li-Qian, LIANG Wan-Zhen. Theoretical Investigations of 4-dimethylaminobenzonitrile (DMABN): Dual fluorescence and Resonance Raman spectras[OL].[24 May 2016] http://en.paper.edu.cn/en_releasepaper/content/4694655


	3. Preparation of Iodo-Bodipy dimer as triplet photosensitizers and Application in Photooxidation and Triplet-Triplet Annihilation (TTA) Upconversion
	CUI Xiaoneng,ZHAO Jianzhang
	Chemistry 04 August 2015
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	Abstract:Iodo-boron dipyrromethene (Bis-bodipy) dimer (B-4I) was prepared as organic triplet photosensitizer for triplet-triplet annihilation (TTA) upconversion and photooxidation. We introduces four iodine atoms to the Bodipy chromophore, therefore the intersyster crossing (ISC) was improved compared to the single iodo-boron dipyrromethene. The organic photosensitizers show strong UV-vis absorptions at 490-590 nm. Long-lived triplet excited state (triplet lifetime up to 72.2 μs) is populated upon excitation of the photosensitizers, proved by nanosecond time-resolved transient absorption spectroscopy. The triplet state was located in the Bodipy part for B-4I by DFT caculations of spin density surface analysis. The singlet oxygen quantum yield is up to 90%, which is higher than traditional photosensitizers, such as tetraphenylporphyrin (TPP), Rose Bangel (RB) and Methylene Blue (MB). In the photooxidation reactions of 1,5-dihydroxy naphthalene, the product Juglone was obtained with high yield. The TTA upconversion was also studied with B-4I as the triplet photosensitizer and with perylene as triplet acceptor, the upconversion quantum yield is up to 5.76%.
	TO cite this article:CUI Xiaoneng,ZHAO Jianzhang. Preparation of Iodo-Bodipy dimer as triplet photosensitizers and Application in Photooxidation and Triplet-Triplet Annihilation (TTA) Upconversion[OL].[ 4 August 2015] http://en.paper.edu.cn/en_releasepaper/content/4651799


	4. Base and alkane adsorption on HZSM-5 with different Si/Al ratios
	XIA Yifen,XUE Nianhua
	Chemistry 28 February 2014
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	Abstract:Adsorbed ammonia and correspongding temperature-grammed desorption proved that the similar acidity in HZSM-5 zeolites with different Si/Al ratios, as well as revealed by the IR spectra of adsorbed pyridine in these zeolites. Howevwer, the adsorbed propane shows different interaction with the zeolites from the different density of the acid sites. It revealed that stronger interaction between the alkane interaction and zeolites when more acid sites presented in zeolites. The Nuclear Magnetic Resonance (NMR) spectra of the 1H DQ of zeolites and the 13C of adsorbed propane proved that the adjacency between Bronsted acid sites and the co-interaction of the active sites on one propane molecules.
	TO cite this article:XIA Yifen,XUE Nianhua. Base and alkane adsorption on HZSM-5 with different Si/Al ratios[OL].[28 February 2014] http://en.paper.edu.cn/en_releasepaper/content/4588077


	5. Binuclear Cyclopentadienylrhenium Hydride Chemistry: Terminal versus Bridging Hydride and Cyclopentadienyl Ligands
	Gao Xiaozhen,LI Nan
	Chemistry 31 December 2013
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	Abstract:Theoretical studies predict the lowest energy structures of the binuclear cyclopentadienylrhenium hydrides Cp2Re2Hn (Cp = 5-cyclopentadienyl ligand; n = 4, 6, 8) to have a central doubly bridged Re2(μ-H)2 unit with terminal ?5-Cp rings and the remaining hydrides as terminal ligands. However, the lowest energy Cp2Re2H2 structure by more [less] than 12 kcal/mol has one terminal ?5-Cp ring, a bridging ?3 ,?2-Cp ring, and two terminal hydride ligands bonded to the same Re atom. The lowest energy hydride-free Cp2Re2 structure is a perpendicular structure with two bridging ?3,?2-Cp rings. The previously predicted bent singlet Cp2Re2 structure with terminal ?5-Cp rings and a formal Re-Re sextuple bond lies ~37 kcal/mol above this lowest energy (?3,?2-Cp)2Re2 structure. The thermochemistry of the CpReHn and Cp2Re2Hn systems is consistent with the reported synthesis of the permethylated derivatives CpReH6 and Cp2Re2H6 (Cp* = ?5-Me5C5) as very stable compounds.
	TO cite this article:Gao Xiaozhen,LI Nan. Binuclear Cyclopentadienylrhenium Hydride Chemistry: Terminal versus Bridging Hydride and Cyclopentadienyl Ligands[OL].[31 December 2013] http://en.paper.edu.cn/en_releasepaper/content/4578894


	6. Influence of Hydrophobicity of Substrates on the Adsorption of Nonionic Block Copolymers
	SONG Junlong
	Chemistry 19 December 2013
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	Abstract:In this investigation the adsorption of nonionic polymers on model surfaces (cellulose, polypropylene, nylon and polyester) were studied using Quartz Crystal Microbalance (QCM) technique. The underlying driving force for the adsorption of nonionic lubricants onto these surfaces was discussed and our experimental observations also confirmed expected behaviors: A greater affinity of the more hydrophobic polymer species with the hydrophobic surfaces and vice versa. Hydrophobic interactions are concluded as being a predominant factor in adsorption of nonionic polymer [polyalkylene glycols (PAGs) and co-polymer of ethylene oxide and propylene oxide (Pluronic)] on textile-relevant surfaces.
	TO cite this article:SONG Junlong. Influence of Hydrophobicity of Substrates on the Adsorption of Nonionic Block Copolymers[OL].[19 December 2013] http://en.paper.edu.cn/en_releasepaper/content/4575038


	7. Most probable reactive site of acid-catalyzed transesterification reaction for synthesis of biodiesel
	ZHANG Pingbo,HAN Qiuju,FAN Mingming,JIANG Pingping
	Chemistry 16 October 2013
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	Abstract:Using the Density Functional Theory (DFT), the issue of which to react first among the three ester bonds of the triglyceride was studied. The previous reports showed that the center ester bond was followed by the outside ester bond resulting in the transesterification reaction. However, this result was questioned by our research, suggesting that the transesterification of the outside ester bond is the most favorable process.
	TO cite this article:ZHANG Pingbo,HAN Qiuju,FAN Mingming, et al. Most probable reactive site of acid-catalyzed transesterification reaction for synthesis of biodiesel[OL].[16 October 2013] http://en.paper.edu.cn/en_releasepaper/content/4564463


	8. Comparison of Lithium Oxide and Bismuth Oxide as Sintering Aids for Barium Y2O3-Doped Barium Zirconate
	LE Shiru*,ZHU Xiaodong,SUN Kening
	Chemistry 09 July 2013
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	Abstract:Decreasing Y2O3-doped barium zirconate (BZY) sintering temperature is crucial for its implementation in solid oxide fuel cells (SOFCs). Bismuth oxide and lithium oxide as sintering aids for BZY were evaluated. It is found that 3 mol% Bi2O3 doped BZY (BZY-3Bi) improves its shrinkage from 10.4 % to 19.02 % at about 1480 ℃, with the maximum shrinkage rate increasing from -0.20 mm.min-1 to -0.34 mm.min-1. No pores could be seen in the BZY-3Bi and BZY-5Bi in the SEM images when the samples were sintered at 1400 ℃ for 24 h . However, both shrinkage tests and SEM images demonstrate that lithium oxide is detrimental for BZY as sintering aid. The conductivity of BZY-2Bi is 1.13 ×10-3 Socm-1 in wet hydrogen atmosphere at 600 ℃ sintered at 1400 ℃ for 24 h, nearly equal to that of BZY-0Bi.
	TO cite this article:LE Shiru*,ZHU Xiaodong,SUN Kening. Comparison of Lithium Oxide and Bismuth Oxide as Sintering Aids for Barium Y2O3-Doped Barium Zirconate[OL].[ 9 July 2013] http://en.paper.edu.cn/en_releasepaper/content/4550873


	9. Synthesis and electrochemical performance of Li2Mn1-xMgxSiO4/C as cathode material of lithium-ion batteries
	GAO Dan,SHI Zhicong
	Chemistry 16 May 2011
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