《结构化学》杂志2019年第12期期刊目录-发表之家

Lithium Battery Material Column: Forward-looking Battery Materials Enlightened from 2019 Nobel Prize in Chemistry

作者：Feng; Pan 刊期：2019年第12期

Only the phenomenal vitality of John Goodenough has saved the Nobel committee from embarrassment.Calls for his pioneering work on lithium-ion batteries(LIBs)to be rewarded have been a routine aspect of Nobel predictions for many years,and finally the time has arrived.Now aged 97,Goodenough is the oldest person ever t...
Advanced Carbon Materials for Non-aqueous Potassium Ion Battery Anodes

作者：LI; Yi-Ju; ZHOU; Jin-Hui; GUO; Shao-Jun 刊期：2019年第12期

Owing to the abundant reserves and low cost, potassium ion batteries(PIBs), as potential alternatives to lithium ion batteries(LIBs) in the field of grid-level electrical energy storage systems, have triggered extensive research interest recently. Taking into consideration of the cost, environmental benignity and sus...
Challenges of Lithium Metal Anode Enlightened from 2019 Nobel Prize in Chemistry

作者：LI; Xiang; WEI; Ying; WU; Jing-Yi; YUAN; Li-Xia; HUANG; Yun-Hui 刊期：2019年第12期

The 2019 Nobel Prize in Chemistry was awarded to three scientists who have made great contributions in discovery of lithium-ion batteries(LIBs). The LIBs with graphite as anode have dominated the rechargeable battery markets of portable electronics and electric vehicles(EVs). For the next-generation batteries, high e...
Enhancing the Surface Stability of Ni-Rich Layered Transition Metal Oxide Cathode Materials

作者：HU; Jiang-Tao; ZHANG; Ji-Guang 刊期：2019年第12期

Rechargeable Li-ion batteries have gained prominence because they offer unparalleled high energy density and high voltage capability.They are already widely used in portable electronic devices and electric vehicles.One of the most promising cathode materials,the Ni-rich LiNixMnyCo1-x-yO2(x≥0.6)cathode(Ni-rich NMC)ha...
A Perspective on Studying Electronic Structure of Batteries through Soft X-ray Spectroscopy

作者：ZHUO; Zeng-Qing; PAN; Feng; YANG; Wan-Li 刊期：2019年第12期

Understanding electronic structure is crucial to enhance the battery performance. Soft X-ray spectroscopy(SXS) is one of the most effective methods to provide direct probe of electronic states. Here, spectroscopic measurements of transition metal 3 d and oxygen 2 p states are simply reviewed. Then, we mainly focus on...
Transmission Electron Microscopy as a Powerful Tool for Investigating Lithium-ion Battery Materials

作者：LIN; Cong; LI; Jian-Yuan; WANG; Chong-Min; PAN; Feng 刊期：2019年第12期

Transmission electron microscopy(TEM) stands out as one of the most powerful tools for characterizing materials at multiple scales and dimensions. This unique technique has nowadays been widely employed in investigating the lithium-ion battery(LIB) materials. The present perspective paper focuses on several LIB relat...
Thermodynamically Revealing the Essence of Order and Disorder Structures in Layered Cathode Materials

作者：ZHENG; Ze; WENG; Mou-Yi; YANG; Lu-Yi; HU; Zong-Xiang; CHEN; Zhe-Feng; PAN; Feng 刊期：2019年第12期

Layered transition metal(TM) oxides are one of the most widely used cathode materials in lithium-ion batteries. The atomic configuration in TM layer of these materials is often known to be random when multiple TM elements co-exist in the layer(e.g. Ni, Co and Mn). By contrast, the configuration tends to be ordered if...
Theoretical Study of Pnicogen Bonding Interactions between ECl3(P, As) and Different Electron Donors

作者：许惠英; 王维; 朱建清; 邹建卫; 许晓路; 陆胤刊期：2019年第12期

The pnicogen bond interaction between different electron donors(anion, π-electron, heteroatom) and ECl3(E = As, P) was calculated by the method of MP2/aug-cc-p VTZ. It has been indicated that the pnicogen bonds of complex formed by the anion and ECl3 are more stable than that by the neutral electron donor, in which t...
Significant Enhancement in Photovoltaic Performances for C217-based Dye Sensitizers via Introducing Electron-withdrawing Substituents: a Theoretical Study

作者：赵蔡斌; 张强; 靳玲侠; 葛红光; 于小虎; 王文亮刊期：2019年第12期

Dye-sensitized solar cells(DSSCs) are one of the most promising photovoltaic technologies, and the development of efficient dye sensitizers, especially inexpensive metal-free organic dyes, is always crucial for fabricating new DSSC devices. In this paper, a series of novel metal-free dyes with the D-A-π-A structure w...
Adsorption and Dissociation of Methanol on Pd(111), Pd/Au(111) and Pd/Rh(111) Surfaces

作者：彭小英; 冯胜雷刊期：2019年第12期

The adsorption and dissociation behaviors of methanol on Pd(111), Pd/Au(111) and Pd/Rh(111) surfaces were studied using a periodical slab model and the PW91 generalized gradient approximation(GGA) within the framework of first-principles calculations based on density functional theory(DFT). The adsorption energy and ...
Synthesis, Crystal Structure and Bioactivity of Ethyl 1-((2-Bromophenyl)carbamoyl)-2-(3,4,5-trimethoxyphenyl) cyclopropanecarboxylate

作者：贾辉; 钟涵宇; 张敬一刊期：2019年第12期

Many small-molecule compounds were reported as microtubule-inhibitor with potential anticancer activities, such as combretastatin-A4(CA-4) analogue. The title compound which is one novel cyclopropylamide analogue of CA-4, namely as ethyl 1-((2-bromophenyl)carbamoyl)-2-(3,4,5-trimethoxyphenyl)cyclopropanecarboxylate, ...
Synthesis, Crystal Structure and Biological Activity of(3S,8a R)-3-((1-Allyl-1H-3-indolyl)methyl)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

作者：杨毅华; 雍凯丽; 鹿迁; 苗旭光; 刘守信刊期：2019年第12期

A derivative of Brevianamide F,(3 S,8 a R)-3-((1-allyl-1 H-3-indolyl)methyl)-hexahy-dropyrrolo[1,2-a]pyrazine-1,4-dione, was synthesized and characterized by 1 H NMR, 13 C NMR and confirmed by X-ray crystal structure analysis. This compound crystallizes in orthorhombic system, space group P212121 with a = 9.59590(10)...
A Novel Porphyrin-based Hydrogen-bonded Organic Framework

作者：李玉麟; 尹琦; 刘天赋; 曹荣; 袁文兵刊期：2019年第12期

A novel hydrogen-bonded organic framework, HOF-TCPP(HOF = hydrogen bonded organic framework, TCPP = tetrakis(4-carboxyphenyl) porphyrin), has been synthesized via solvothermal reaction in ethylene glycol. Crystal structure was well determined by single-crystal X-ray diffraction and powder X-ray diffraction(PXRD). Top...
Solvothermal Synthesis of α-Fe2O3 Porous Nanobelts and Their Enhanced Acetone-sensing Properties

作者：陈鸿文; 丁豪; 马金良; 岳芳; 贾潇刊期：2019年第12期

Porous α-Fe2O3 nanobelts have been prepared via a solvothermal route and subsequent calcination. The as-prepared nanostructure was characterized by XRD, FESEM, TEM, N2 adsorption-desorption isotherms, etc. The α-Fe2O3 nanobelts presented obvious porous structures with the length of ca. 1~2μm, width of ca. 200~350 nm ...
Urothermal Synthesis of Zeolitic Tetrazolate-imidazolate Frameworks

作者：李敏玉; 王飞; 张健刊期：2019年第12期

Urothermal method was firstly used to synthesize zeolitic tetrazolate-imidazolate frameworks. By using 2-imidazolidone hemihydrate(e-urea) as solvent, a new compound, namely ZTIF-17 with GIS topology, has been obtained by mixing 5,6-dimethylbenzimidazole and 5-ethylthiotrazole ligands, and characterized by powder and...

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结构化学杂志 SCI期刊 CSCD期刊

Chinese Journal of Structural Chemistry

Lithium Battery Material Column: Forward-looking Battery Materials Enlightened from 2019 Nobel Prize in Chemistry

Advanced Carbon Materials for Non-aqueous Potassium Ion Battery Anodes

Challenges of Lithium Metal Anode Enlightened from 2019 Nobel Prize in Chemistry

Enhancing the Surface Stability of Ni-Rich Layered Transition Metal Oxide Cathode Materials

A Perspective on Studying Electronic Structure of Batteries through Soft X-ray Spectroscopy

Transmission Electron Microscopy as a Powerful Tool for Investigating Lithium-ion Battery Materials

Thermodynamically Revealing the Essence of Order and Disorder Structures in Layered Cathode Materials

Theoretical Study of Pnicogen Bonding Interactions between ECl3(P, As) and Different Electron Donors

Significant Enhancement in Photovoltaic Performances for C217-based Dye Sensitizers via Introducing Electron-withdrawing Substituents: a Theoretical Study

Adsorption and Dissociation of Methanol on Pd(111), Pd/Au(111) and Pd/Rh(111) Surfaces

Synthesis, Crystal Structure and Bioactivity of Ethyl 1-((2-Bromophenyl)carbamoyl)-2-(3,4,5-trimethoxyphenyl) cyclopropanecarboxylate

Synthesis, Crystal Structure and Biological Activity of(3S,8a R)-3-((1-Allyl-1H-3-indolyl)methyl)-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

A Novel Porphyrin-based Hydrogen-bonded Organic Framework

Solvothermal Synthesis of α-Fe2O3 Porous Nanobelts and Their Enhanced Acetone-sensing Properties

Urothermal Synthesis of Zeolitic Tetrazolate-imidazolate Frameworks

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