2023年第9期目录

2023年 第9期

1. Surface ligand engineering on the optical properties of atomically precise AuAg nanoclusters

Xiang Liu, Yifei Zhang*, Zhiwen Li, Gao Li*, Farid Taherkhani*. Chin. J. Struct. Chem., 2023, 42, 100154

https://doi.org/10.1016/j.cjsc.2023.100154

2. Structural diversification of tin-oxo complexes through controlled self-assembly and ligand modulation

Jun-Jie Fang, Zheng Liu, Yun-Peng Xie*, Xing Lu*. Chin. J. Struct. Chem., 2023, 42, 100155

https://doi.org/10.1016/j.cjsc.2023.100155

3. Understanding the solvation structures of glyme-based electrolytes by machine learning mole-cular dynamics

Feng Wang, Jun Cheng*. Chin. J. Struct. Chem., 2023, 42, 100061

https://doi.org/10.1016/j.cjsc.2023.100061

In this work, a computational study on the solvation structures of triglyme (G₃) based electrolytes by using machine learning molecular dynamics (MLMD) is presented. PBE-D₃ shows better accuracy compared to BLYP-D₃ and Li⁺ prefers to coordinate with a G₃ and a TFSI in equimolar electrolytes, demonstrating the significance of long-time scale MLMD simulations for clarifying the chemistry of non-ideal electrolytes.

4. A Cd-based MOF crystal vessel for the synthesis of interhalogens

Min-Jie Zhang, Yu Ge, Chen Cao, Xin-Ran Xue,  Qiu-Yi Li, Qi Liu*, Jian-Ping Lang*. Chin. J. Struct. Chem., 2023, 42, 100125

https://doi.org/10.1016/j.cjsc.2023.100125

A Cd-based MOF, {[Cd(1,4-bdc)(4-bpa)]⋅DMF}_n (1), was prepared and its corresponding activation  species, [Cd(1,4-bdc)(4-bpa)]_n (2) was applied to synthesize and store pure interhalogens. The synthesis of interhalogen was realized by quantitive 2.

5. An enzyme-free glucose sensing device based on TiO₂ nanorod array photoelectric catalysis

Anna Su, Qiumei Lei, Gaoqi Tian, Yaolan Yang, Shuqing He, Li Yan, Xin Hu, Tao Ji*, Shijie Li*, Junqing Hu. Chin. J. Struct. Chem., 2023, 42, 100133

https://doi.org/10.1016/j.cjsc.2023.100133

An enzyme-free photoelectric combined glucose sensor based on TiO₂NRs/FTO was prepared by a simple one-step hydrothermal method, and the sensor achieved a high sensitivity of about 1.0 μAmM⁻¹ cm⁻² under 380 nm irradiation (0.5 mW cm⁻²) and  positive voltage.

6. Structural and chemical engineering of metal-organic framework-derived nickel disulfide nanosheets as the compacted cathode matrix for lithium-sulfur batteries

Qi Zhang, Wenxiang Shen, Pengyue Li, Jinshang Song, Lingzhi Zhu*, Enshan Han, Ruihu Wang, Xiaoju Li*. Chin. J. Struct. Chem., 2023, 42, 100134

https://doi.org/10.1016/j.cjsc.2023.100134

A facile and versatile Ni-MOF-based strategy has been developed to fabricate nickel disulfide nanosheets on the reduced graphene oxide surface (NSG). Structural and che-mical advantages of NSG endow the resultant electrode with high energy density and long lifetime in lithium-sulfur batteries.

7. Metal-ion-tuned metal-organic frameworks for C₂H₂/CO₂ separation

Meng Sun, Hongyan Liu, Xiaokang Wang, Xinlei Yang, Fei Gao, Deyu Xie, Weidong Fan*, Yinfeng Han*, Ben Xu, Daofeng Sun. Chin. J. Struct. Chem., 2023, 42, 100146

https://doi.org/10.1016/j.cjsc.2023.100146

Three isoreticular Al-MOFs (Al-TCPP, Al-TCPP(Co), and Al-TCPP(Fe)) can effectively separate C₂H₂/CO₂ by regulating the metal ions in the porphyrin center.

8. Enhanced ethane/ethylene separation based on metal regulation in zeolitic imidazolate frameworks

Qi Wang, Dandong Ning, Hongwei Chen, Yang Chen*, Jinping Li, Libo Li*. Chin. J. Struct. Chem., 2023, 42, 100147

https://doi.org/10.1016/j.cjsc.2023.100147

A GME-configured ethane-selective ZIF-78 was synthesized by employing diverse me-tals (Zn, Co). Through metal modulation within the structures, ZIF-78-Co exhibits notable ethane uptake and selectivity compared to ethylene. The balanced separation efficiency and structural robustness render it a prospective candidate for industrial applications while also igniting continued exploration of akin adsorbents.

9. Plasmonic photocatalysis: Mechanism, applications and perspectives

Tian Wang, Hong-Jia Wang, Jia-Sheng Lin, Jing-Liang Yang, Fan-Li Zhang*, Xiu-Mei Lin*, Yue-Jiao Zhang, Shangzhong Jin, Jian-Feng Li*. Chin. J. Struct. Chem., 2023, 42, 100066

https://doi.org/10.1016/j.cjsc.2023.100066

This paper mainly reviews four aspects of plasmon-enhanced semiconductor photo-catalysis, light absorption and scattering, enhanced electromagnetic field, hot carrier injection and enhanced thermal effect. Then the current single metal, bimetallic and non-noble metal-based plasmonic photocatalysts are introduced, and finally the applications of plasmonic photocatalysts in H₂ production, pollutant degradation, CO₂ reduction and antibacterial are reported.

10. Recent progress of newly developed functional building units and corresponding nonlinear optical materials

Wenjing Tan, Chenyang Zhang, Tingting Huang, Bingbing Zhang*. Chin. J. Struct. Chem., 2023, 42, 100098

https://doi.org/10.1016/j.cjsc.2023.100098

This review summarizes the recently developed NLO-active units and the corresponding crystals. One can find that the heteroleptic coordinated tetrahedra and organic π-conjugated planar groups are the main sources of new FUBs.

11. Machine learning promotes the development of all-solid-state batteries

Yong Qiu, Xu Zhang, Yun Tian*, Zhen Zhou. Chin. J. Struct. Chem., 2023, 42, 100118

https://doi.org/10.1016/j.cjsc.2023.100118

Rapid development of big data has opened up new avenues for material discovery to disclose the structure-activity relationship. The basic procedures and key features implemented in machine learning for designing solid-state batteries, including cathode materials and solid electrolytes, as well as predicting the condition of solid-state batteries, are comprehensively covered.

往期精彩回顾