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Absorption materials: Sustainable Carbon Aerogels Derived from Nanofibrillated Cellulose as High‐Performance Absorption materials (Adv. Mater. Interfaces 10/2016)

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Advanced materials Interfaces 2016年第10期3卷

作者： Wenshuai Chen Qi Zhang Kojiro Uetani Qing Li Ping Lu Jun Cao Qingwen Wang Yixing Liu Jian Li Zhichao Quan Yongshi Zhang Sifan Wang Zhenyu Meng Haipeng Yu Key laboratory of Bio‐based Material Science and Technology Ministry of Education Northeast Forestry University Harbin 150040 P. R. China College of Mechanical and Electrical Engineering Northeast Forestry University Harbin 150040 P. R. China College of Science Rikkyo University 3‐34‐1 Nishi‐ikebukuro Toshima‐ku Tokyo 171‐8501 Japan Department of Chemistry and Biochemistry Long Island University Brooklyn NY 11201 USA

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A Rigid Nested Metal–Organic Framework Featuring a Thermoresponsive Gating Effect Dominated by Counterions

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Angewandte Chemie 2016年第48期128卷

作者： Qiang Gao Jian Xu Dapeng Cao Ze Chang Xian‐He Bu State Key Laboratory of Elemento-Organic Chemistry College of Chemistry Nankai University Tianjin 300071 P.R. China School of Materials Science and Engineering TKL of Metal and Molecule-Based Material Chemistry Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) Nankai University Tianjin 300350 P.R. China State Key Lab of Organic-Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P.R. China

We herein report a rigid nested metal–organic framework (MOF) featuring a unique thermoresponsive gating adsorption behavior, which, in contrast to any known flexibility modes for stimuli‐responsive MOFs, depends on the thermal motion of the extra‐framework counterions. In addition, this MOF also exhibits adsorption selectivity of CO 2 over N 2 , H 2 , and Ar at 273 K, thus enabling a strategic separation and encapsulation of CO 2 .

关键词： Dynamische Prozesse Gegenionen Metall-organische Gerüstverbindungen Starr verschachtelte Strukturen Thermoresponsive Schaltungen

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Wood protection with dimethyloldihydroxy- Ethyleneurea and its derivatives

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ACS Symposium Series 2014年 1158卷 287-299页

作者： Xie, Yanjun Krause, Andreas Militz, Holger Department of Wood Biology and Wood Products Georg August University Göttingen Buesgenweg 4 D-37077 Goettingen Germany Key Laboratory of Bio-based Material Science and Technology Northeast Forestry University 26 Hexing Road Harbin 150040 China Dept. of Mechanical Wood Technology University Hamburg Leuschnerstr. 91 D-21031 Hamburg Germany

ISBN: (纸本)9780841230040

The low-molecular-weight N-methylol compounds, dimethyloldihydroxyethyleneurea (DMDHEU) and its derivatives, have been successfully used to modify wood. The N-methylol compounds can penetrate and react in wood cell walls. The reaction modes may be crosslinking of cell wall polymers by DMDHEU and/or self-condensation of DMDHEU within the cell wall. As a result, the modified wood exhibits a permanent cell wall bulking;the swelling and shrinkage is reduced, depending on the modification levels. This causes an improved anti-swelling efficiency of up to 70%. Modification does not substantially influence the equilibrium moisture content of wood but improves the durability against white, brown, and soft rot fungi. The treatments also enhance the wood's surface hardness and compression strength, but do not change its flexural properties. The adhesion of coatings on the modified wood is greater than on the untreated wood and the weathering properties of both uncoated and coated wood are improved. The simple processing, enhanced material properties, and acceptable production cost make this modification technique applicable to industry. © 2014 American Chemical Society.

关键词： Wood

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Preparation of amino-graphene electrode slice

Preparation of amino-graphene electrode slice

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International Conference on Vehicle and Mechanical Engineering and Information technology, VMEIT 2014

作者： Du, Yu Hong Lv, Li Li Liu, Bao Zhao, Dong Mei Department of Food and Environment Engineering Heilongjiang East University Harbin 150086 China School of Chemistry and Materials Heilongjiang University Harbin 150080 China Key Laboratory of Bio-Based Material Science and Technology Ministry of Education Northeast Forest University Harbin 150040 China

ISBN: (纸本)9783038350606

The graphene oxide (GO) was prepared by oxidizing flake graphite via the modified Hummer's method, and it was halogenated by thionyl chloride after clearing. Then it became amino-graphene(AG) by the action of ethanediamine in methylbenzene. The as-prepared AG was dried and pulverized, then was crushed into slice-like electrode at high pressure using machine made-oneself. The GO and AG in this experiment was analyzed and characterized by SEM, TEM, XRD AND FT-IR. The cyclic voltammetry (CV) was used to illustrate the electrochemical performance of AG electrode. The results revealed that groups containing oxygen of the GO were obviously reduced and the -COOH was replaced by -NH2, and the prepared electrode could be applied to the electrochemical catalysis. © (2014) Trans Tech Publications, Switzerland.

关键词： Graphene

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Determination of melting point of polyethylene based on inverse opal

Determination of melting point of polyethylene based on inve...

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International Conference on Vehicle and Mechanical Engineering and Information technology, VMEIT 2014

作者： Zhao, Dong Mei Sun, Li Guo Li, Jian Key Laboratory of Bio-Based Material Science and Technology Ministry of Education Northeast Forest University Harbin 150040 China Department of Food and Environment Engineering Heilongjiang East University Harbin 150086 China School of Chemistry and Materials Heilongjiang University Harbin 150080 China

ISBN: (纸本)9783038350606

The thermal tunable behavior of polyethylene inverse opal photonic crystals was investigated and the mechanism of this behavior was illustrated. based on these researches, a method of determination of melting point was established. This principle of such method is that at the temperature of above the melting point, the molecular chain of the materials started to move and caused the destruction of the ordered nanostructure of the inverse opal. This destruction could be real-time monitored by the reflectance spectra. In addition, this process could also be observed by naked eyes because the structure color of the materials was also changed. Thus, the melting point of the materials could be detected by our method without using complex and expensive analyzer. © (2014) Trans Tech Publications, Switzerland.

关键词： Melting point

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Structural,electronic and energetic properties of a series of mono- and bisuranyl dihalides equatorially coordinated by N/O ligands: a relativistic density functional study

Structural,electronic and energetic properties of a series o...

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中国化学会第十二届全国量子化学会议

作者： Yong-Ming Wang Qing-Jiang Pan Yuan-Ru Guo Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry School of Chemistry and Materials ScienceHeilongjiang University Key Laboratory of Bio-based Material Science & Technology of Education Ministry College of Material Science and EngineeringNortheast Forestry University

Monometallic（UO2）（X）2（L）3（L=pyridine（py）,X=F（1）,Cl（2）,Br（3）and I（4）;L=tetrahydrofuran（thf）,X=Cl（5）;L=pyrrole（pl）,X=Cl（6））as well as bimetallic[（UO2）（μ2-X）（X）（L）2]2（L=py,X=F（7）,Cl（8）,Br（9）and I（10）;L=thf,X=Cl（11）;L=pl,X=Cl（12））were examined using relativistic density functional *** changing from F,Cl,Br to I irregardless of in mono-or bisuranyl complexes,bond lengths of U=O were calculated to be decreasing,which results from strengthening of axial U=O bonds while weakening of equatorial X→U *** present study reveals that all the complexes have U（f）-character low-lying unoccupied orbitals,and theirπ*（U=O）antibonds are located on higher-energy ***,energetic properties of formation reactions of above complexes were calculated and also compared with available experimental results.

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Theoretical studies on Redox Potentials of the classic equatorial coordination AnVI/AnV complexes for An = U,Np,Pu

Theoretical studies on Redox Potentials of the classic equat...

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中国化学会第十二届全国量子化学会议

作者： Yu-Xi Zhong Qing-Jiang Pan Yuan-Ru Guob Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry School of Chemistry and Materials ScienceHeilongjiang University Key Laboratory of Bio-based Material Science & Technology of Education Ministry College of Material Science and EngineeringNortheast Forestry University

The structures and property of{An O2(H2O)5}2+/{An O2(H2O)5}+for An=U,Np,Pu have been calculated using density function theory.[1][2]On the basis of these work,we explored other AnVI/AnV complexes structures and redox potentials and try to frontier orbital diagrams to explain the changing trends of redox *** have found that different computational method has great influence on redox potentials and the solvent effect on potential changes very little.

关键词： AnV complexes for An Theoretical studies on Redox Potentials of the classic equatorial coordination An U,Np,Pu

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Theoretical study on tetrapyrrolic ruthenium(Ⅱ) isothiocyanato complexes

Theoretical study on tetrapyrrolic ruthenium(Ⅱ) isothiocyan...

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中国化学会第十二届全国量子化学会议

作者： Ming-Jing Zhang Qing-Jiang Pan Yuan-Ru Guo Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry School of Chemistry and Materials ScienceHeilongjiang University Key Laboratory of Bio-based Material Science & Technology of Education Ministry College of Material Science and EngineeringNortheast Forestry University

The Ru(Ⅱ)sensitizers,[((HOOC)n-(Pc))Ru(NCS)2]2–(labeled as Pc-n;n=0-4,Pc=phthalocyanine)and[((HOOC)n-(TBPor))Ru(NCS)2]2–(Por-n;n=0-4,TBPor=tetrabenzoporphyrin),for solar cells have been studied on their optoelectronic and redox properties using density functional theory(DFT)and time-dependent DFT(TD-DFT).The number of carboxylic groups bonding to tetrapyrrolic ligands can fine-tune electronic structures and absorption *** tetrapyrrolic macrocycles are the ideal spot to accommodate excited *** on both atomic electron-spin density and electronic structures reveal that one-electron oxidation of Pc-n and Por-n occurs around ruthenium and-NCS moieties;in contrast,that of[(Pc)Ru(Py-COOH)2](Pc Ru Py,Py=pyridine)was calculated to be macrocycle-based,agreeing with experimental ***,intensities of Q absorption bands of Pc-n and Por-n have been calculated to be strongly enhanced upon increasing the carboxylic acid *** brief,the present calculated results of electronic structures,spectral features and oxidation potentials as well as comparison with experimentally known dyes of Pc Ru Py and N3[1]suggest that Pc-n and Por-n,especially Por-4,would be suitable photosensitizers for dye-sensitized solar cells(DSSCs).

关键词： Theoretical study on tetrapyrrolic ruthenium isothiocyanato complexes DFT

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Geometry Structures,Metal-metal Bond and Electronic Spectra of Ferromagnetic Dimeric Rutheinium Porphyrazine

Geometry Structures,Metal-metal Bond and Electronic Spectra ...

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中国化学会第十二届全国量子化学会议

作者： Jin-Yu Lv Ming-Jing Zhang Qing-Jiang Pan Yuan-Ru Guo Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry School of Chemistry and Materials ScienceHeilongjiang University Key Laboratory of Bio-based Material Science & Technology of Education Ministry College of Material Science and EngineeringNortheast Forestry University

Dimeric(Ru Pz)2 complex,modeling experimentally known dimers of(Ru Por)2 and(Ru Pc)2,as well as its monomeric Ru Pz have been investigated using density functional theory[1].Pz,Por and Pc denote porphyrazine,porphyrin and phthalocyanine,*** was shown that(Ru Pz)2favors a Pz-Pz staggered conformer with the skew angle(N-Ru-Ru-N)=33.3°rather than an eclipsed one,which is compared with experimental values of measured 23.8°for(Ru OEPor)2 and assumed 45°for(Ru Pc)*** of the staggered(Ru Pz)2 in all the possible electron-spin states as well as the Ru Pz were fully *** was revealed that the(Ru Pz)2 has a ferromagnetic triplet ground state,being 6.3 kcal/mol lower than its diamagnetic singlet state,and 11.3～79.1kcal/mol more stable than other *** confirms experimentally reported(Ru OEPor)2 and(Ru Pc)2 with magnetic moment of 2.5～2.8μ*** Ru-Ru bond length of(Ru Pz)2 in the triplet state was optimized to be 2.38,close to experimental values of 2.40～2.41.The nature of Ru-Ru double bond has been evidenced by the calculated Ru-Ru stretching vibrational frequency of 202cm–1 and bond energy of 30.7 kcal/mol(BSSE)at the theory level of larger basis *** with the continuum model,electronic spectra of(Py2Ru Pz),(Py Ru Pz)2 and(Ru Pz)2 which represent case of Ru Pz in the dilute solution,the concentrated solution and the solid state have been calculated and discussed in the work.

关键词： Geometry Structures,Metal-metal Bond and Electronic Spectra of Ferromagnetic Dimeric Rutheinium Porphyrazine

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Structural,Electronic and Spectroscopic Properties of bis-imido Uranium Iodides: An Implication for Chirality of Inorganic Complex

Structural,Electronic and Spectroscopic Properties of bis-im...

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中国化学会第十二届全国量子化学会议

作者： Chun-Mei Lv Qing-Jiang Pan Yuan-Ru Guo Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry School of Chemistry and Materials ScienceHeilongjiang University Key Laboratory of Bio-based Material Science & Technology of Education Ministry College of Material Science and EngineeringNortheast Forestry University

To provide an insight into chirality of inorganic complexes,cis-bis（imido）uranium iodides,cis-U（NPh）2（THF）3I2（3Ph1 and 3Ph2）and cis-U（NPh）2（THF）2I2（2Ph1 and 2Ph2）have been examined using density functional theory（DFT）and time-dependent *** system energies,geometry parameters and vibrational spectra were calculated to be close between respective *** difference of U=N *** on electronic structures in the tetrahydrofuran solution reveal that these mirror complexes show mixedπ（U=N）andπ（Ph）character for HOMO and HOMO-1;lone pair electrons of iodine are dominant in energetically lower occupied *** orbital energies were calculated to be slightly different between enantiomers,which causes difference in corresponding electronic transitions and is further reflected in electronic *** calculated exciton-coupled circular dichroism（ECCD）spectra of 2Ph1and 2Ph2 exhibit a complete mirror *** also calculated experimentally known trans-U（NPh）2（THF）3I2（trans-3Ph）.The comparison among calculated results of trans-3Ph,3Ph1and 3Ph2 indicates that the cis/trans-isomerism affects their structural and electronic properties more significantly than the chirality.

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