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Nano-Micro Letters 2022年第6期14卷 219-233页

作者： Changyuan Yan Yangyang Wang Xianyu Deng Yonghang Xu Shenzhen Key Laboratory of Advanced Materials School of Materials Science and EngineeringHarbin Institute of TechnologyShenzhen 518055People’s Republic of China School of Materials Science and hydrogen Energy Foshan UniversityFoshan 528000China

Aqueous zinc ion batteries have high potential applicability for energy storage due to their reliable safety,environmental friendliness,and low cost.However,the freezing of aqueous electrolytes limits the normal operation of batteries at low temperatures.Herein,a series of high-performance and low-cost chloride hydrogel electrolytes with high concentrations and low freezing points are developed.The electrochemical windows of the chloride hydrogel electrolytes are enlarged by>1 V under cryogenic conditions due to the obvious evolution of hydrogen bonds,which highly facilitates the operation of electrolytes at ultralow temperatures,as evidenced by the low-temperature Raman spectroscopy and linear scanning voltammetry.Based on the Hofmeister effect,the hydrogen-bond network of the cooperative chloride hydrogel electrolyte comprising 3 M ZnCl_(2)and 6 M LiCl can be strongly interrupted,thus exhibiting a sufficient ionic conductivity of 1.14 mS cm;and a low activation energy of 0.21 e V at-50℃.This superior electrolyte endows a polyaniline/Zn battery with a remarkable discharge specific capacity of 96.5 mAh g;at-50℃,while the capacity retention remains~100%after 2000 cycles.These results will broaden the basic understanding of chloride hydrogel electrolytes and provide new insights into the development of ultralow-temperature aqueous batteries.

关键词： Chloride hydrogel Electrochemical window Cooperative effect hydrogen-bond Ultralow temperature Aqueous zinc ion battery

Construction of pH-universal hydrogen evolution freeway in MoO_(3)-MoNi_(4)@Cu core-shell nanowires via synergetic electronic and geometric effect

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Nano Research 2023年第10期16卷 12253-12262页

作者： Xiaodong Chen Shoufu Cao Xiaojing Lin Xiaofei Wei Zhaojie Wang Hongyu Chen Chengcheng Hao Siyuan Liu Shuxian Wei Daofeng Sun Xiaoqing Lu School of Materials Science and Engineering China University of Petroleum(East China)Qingdao 266580China College of Science China University of Petroleum(East China)Qingdao 266580China

Both the adsorption/dissociation of water molecules and hydrogen intermediate(H*)are the major limitations to hydrogen evolution reaction(HER).Herein,the modulation of electronic structure and geometric configuration are combined to design onedimensional electrocatalyst with outstanding HER activity in a wide pH range.The catalyst was composed of molybdenum trioxide doped molybdenum nickel alloy supported by copper nanowires(MoO_(3)-MoNi_(4)@Cu NWs).As revealed by the experimental characterizations and theoretical calculations,Cu NWs act as the electron donator to MoNi4,resulting in up shift of the d-band center in MoNi4,thus expediting H_(2)O adsorption and dissociation.Moreover,the introduction of amorphous MoO_(3) sets up a unique geometric configuration on MoNi4 for the accelerated H*transfer via hydrogen-bond and hydrogen spillover.This work provides a synergetic route for constructing HER freeway and promotes further investigations on more versatile electrocatalysis involving H_(2)O or H*.

关键词： pH-universal hydrogen evolution reaction(HER) electronic structure geometric configuration hydrogen-bond hydrogen spillover

Density functional study on chirospectra of hydrogen-bonded systems X^-(H_2O)_3(X=F,Cl,Br,I)

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Chinese Physics B 2010年第4期19卷 229-238页

作者：莽朝永李珍贵吴克琛 College of Life Science and Chemistry Dali University Institute of Eastern-Himalaya Biodiversity Research Dali University State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of Sciences

This paper calculates the molecular structures, infrared, Raman, circular dichroism spectra and optical rotatory powers of some hydrogen-bonded supramolecular systems as a cyclic water trimer, （H2O）3 and its pyramidal halide complexes, X- （H2O）3 （X= F, Cl, Br, I） with the gradient-corrected density functional theory method at the B3LYP/6- 311＋＋G（2d,2p） and B3LYP/Aug-cc-pVTZ levels. It finds that the complexation of halide anions with the water trimer can efficiently modulate the chirally optical behaviors. The calculated vibrational circular dichroism spectrum illuminates that the vibrational rotational strength of S（＋）（H2O）3 mostly originates from the O-H rocking modes, whereas chirality of S（-）-X-（H2O）3 （X = F, Cl, Br, I） has its important origin in the O-H stretching modes. The calculated optical rotatory power demonstrates that S（＋）（H2O）3 and S（＋）-F-（H2O）3 are positively chiral, whereas S（-）-X-（H2O）3 （X=Cl, Br, I） are negatively chiral. With the polarizable continuum model, calculated bulk solvent effect in the solvents water and carbontetrachloride and argon shows that the positive chirality of S（＋）-（H2O）3 is enhanced and the negative chirality of S（-）-X-（H2O）3 （X=Cl, Br, I） and the positive chirality of S（＋）-F-（H2O）3 are reduced with an augmentation of the solvent dielectric constant.

关键词： water cluster hydrogen-bond vibrational circular dichroism infrared spectra density functional theory

TEMPERATURE-DRIVEN SURFACE MORPHOLOGY EVOLUTION OF POLY(3-HYDROXYBUTYRATE) SINGLE LAYER AND POLY(3-HYDROXYBUTYRATE)/POLY(VINYL PHENOL) BILAYER ON Si WAFERS

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Chinese Journal of Polymer Science 2013年第3期31卷 407-418页

作者： Chun-zhu Yan Lin Guo 孙晓丽闫寿科 Isao Takahashi School of Chemistry and Environment Beihang University State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical Technology School of Science and Technology Kwansei Gakuin University

The specular and off-specular X-ray reflectivities were efficiently employed to study the evolution of surface morphology as a function of temperature in a single layer of poly（3-hydroxybutyrate）（PHB） and a bilayer of PHB/poly（vinyl phenol）（PVPh） on Si substrates. The results indicate that the changes of thickness and surface roughness caused by pre-melting of PHB crystals are not obvious for the single layer, whereas the surface roughness of the PHB layer and the intensity of the off-specular X-ray reflectivity for the bilayer exhibit a remarkable non-monotonic change in the temperature range of 100-150℃; the roughness parameter evaluated by the specular X-ray reflectivity reaches its maximum at 120℃. The interaction at the interface between PVPh and PHB certainly contributes to the non-monotonic changes. Such interaction also affects the crystallization and melting behavior of PHB thin film greatly. The crystallization of PHB thin film is inhibited even on the glassy surface of PVPh sublayer, In the melting process, the PHB crystals on PVPh sublayer feature a threesection melting curve separated by a plateau region of 120-140℃.

关键词： Interface hydrogen-bond Roughness Melt.

Laser ablation of block copolymers with hydrogen-bonded azobenzene derivatives

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Frontiers of Chemical Science and Engineering 2018年第3期12卷 450-456页

作者： Jintang Huang Youju Huang Si Wu Max Planck Institute for Polymer Research Aekermannweg 10 55128 Mainz Germany Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Soft Matter ChemistrY/ Anhui Key Laboratory ofOptoelcctronic Science and Technology Innovation Centre of Chemistry for Energy Materials Department of Polymer Science and Engineering University of Science and Technology of China Hefei 230026 China

Supramolecular assemblies （PS-b-P4VP （AzoR）） are fabricated by hydrogen-bonding azobenzene derivatives （AzoR） to poly（4-vinyl pyridine） blocks of polystyrene-block-poly（4-vinyl pyridine）（PS-b-P4VP）. PS-b-P4VP（AzoR） forms phase separated nanostructures with a period of-75-105 nm. A second length scale structure with a period of 2μm is fabricated on phase separated PS-b-P4VP（AzoR） by laser interference abla- tion. Both the concentration and the substituent of AzoR in PS-b-P4VP（AzoR） affect the laser ablation process. The laser ablation threshold of PS-b-P4VP（AzoR） decreases as the concentration of AzoR increases. In PS-b-P4VP（AzoR） with different substituents （R = CN, H, and CH3）, ablation thresholds follow the trend： PS-b-P4VP（AzoCN）〈 PS-b- P4VP（AzoCH3）〈PS-b-P4VP（AzoH）. This result indicates that the electron donor group （CH3） and the electron acceptor group （CN） can lower the ablation threshold of PS-b-P4VP（AzoR）.

关键词： laser ablation block copolymers hydrogen-bond azobenzene derivatives supramolecular assembly

hydrogen-bonded network: An effective approach to improve the thermal stability of organic/polymer electro-optic materials

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Science China Chemistry 2013年第2期56卷 169-173页

作者： DENG GuoWei BO ShuHui ZHOU TingTing ZHANG Rong LIU JiaLei LIU XinHou ZHEN Zhen QIU Ling Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and Chemistry Chinese Academy of Sciences Graduate University of Chinese Academy of Sciences

Preparation of PMMA-co-PHPMN-(4-hydroxyphenyl)maleimide was prepared according tothe literature [1]. The monomer mixtures, comprising of 0.6g N-(4-hydroxyphenyl)maleimide, 0.4 g MMA and 0.004 g , ′-azobisisobutyronitrile (AIBN) were dissolved in 2 mLDMF. Air above the monomers was swept out using thefreeze-pump-thaw procedure three times and filled

关键词： electro-optic materials hydrogen-bond polymer blends thin films stability

Synthesis and Crystal Structure of Bis(2-acetylpyridine thiosemicarbazonato)-indium(iii) Perchlorate Hydrate

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Chinese Journal of Structural Chemistry 2011年第6期30卷 882-886页

作者：王乐边玮玮朱凌倪荣军陶琳 State Key Laboratory of Ceramic Zibo Entry and Exit Inspection and Quarantine Bureau Department of Medical Chemistry Weifang Medical University

The title complex bis（2-acetylpyridine thiosemicarbazonato）-indium（iii） perchlo-rate hydrate has been synthesized by the reaction of 2-acetylpyridine thiosemicarbazide（L） with indium（iii） perchlorate,and its structure was characterized by elemental analysis,IR and single-crystal X-ray diffraction.The crystal of the title compound（[In（C8H9N4S）2]ClO4·H2O） belongs to monoclinic,space group P21/c with a = 12.6438（18）,b = 12.6259（18）,c = 15.116（2） nm,β = 105.800（2）°,Z = 4,V = 2321.9（6） nm3,Mr = 618.79,Dc = 1.770 g/cm3,μ = 1.359 mm-1,F（000） = 1240,R = 0.0265 and wR = 0.0675.X-ray analysis indicates that various intriguing hydrogen patterns involving both the solvent intermedia and polyatomic counterions play crucial roles in the self-assembly of functional supramolecules.

关键词： self-assembly cationic complex polyatomic counterion hydrogen-bond

Water reorientation in the hydration shells of hydrophilic and hydrophobic solutes

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Science China(Physics,Mechanics & Astronomy) 2010年第6期53卷 1068-1072页

作者： LAAGE Damien STIRNEMANN Guillaume HYNES James T. Department of Chemistry école Normale Supérieurerue LhomondParisFrance Department of Chemistry and Biochemistry University of Colorado

We discuss some key aspects of our recent theoretical work on water reorientation dynamics,which is important in a wide range of phenomena,including aqueous phase chemical reactions,protein folding,and drug binding to proteins and DNA. It is shown that,contrary to the standard conception that these dynamics are diffusional,the reorientation of a water molecule occurs by sudden,large amplitude angular jumps. The mechanism involves the exchange of one hydrogen bond for another by the reorienting water,and the process can be fruitfully viewed as a chemical reaction. The results for reorientation times,which can be well described analytically,are discussed in the context of the molecular level interpretation of recent ultrafast infrared spectroscopic results,focusing on the concepts of structure making/breaking and solvent 'icebergs'.

关键词： hydrogen-bond water reorientation jump model

A Theoretical Study on the hydrogen-bonded Dimers of HNCO Molecules

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Chinese Journal of Structural Chemistry 1994年第4期13卷 312-315页

作者： Wang Yan Feng Wen-Lin Zhang Shao-Wen Zhu Wei-Xin(Chemistry Department, Beijing Normal University, Beijing 100875)

Ab initio method has been employed to investigate the hydrogenbond between two HNCO molecules. Two types of hydrogen-bondings in HNCO dimers have been found, one type is N-H…O, the other is N-H…N. The latter is a little stabler than that of the former. The stabilization energies of the two types of dimers are estimated to be 13KJ/mol-21KJ/mol.

关键词： HNCO hydrogen-bond ab initio method

Vibrational Structural Markers for Probing the hydrogen-bonding status of Tyrosine Residues

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Vibrational Structural Markers for Probing the Hydrogen-Bond...