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Revisiting traditional and modern trends in versatile 2D nanomaterials: Synthetic strategies, Structural stability, and gas-sensing fundamentals

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Journal of Advanced Ceramics 2023年第12期12卷 2149-2246页

作者： Mobashar Hassan Siwei Liu Zhiping Liang Shahid Hussain Junlin Liu Guiwu Liu Guanjun Qiao School of Materials Science and Engineering Jiangsu UniversityZhenjiang 212013China

Two-dimensional nanomaterials(2DNMs)have attracted significant research interest due to their outstanding structural properties,which include unique electrical nanostructures,large surface areas,and high surface reactivity.These adaptable materials have outstanding physicochemical characteristics,making them useful in a variety of applications such as gas-sensing,electronics,energy storage,and catalysis.Extensive research has been conducted in the pursuit of high performance room-temperature(RT)gas sensors with good selectivity,high sensitivity,long-term stability,and rapid response/recovery kinetics.Metal oxides,transition metal chalcogenides,MXenes,graphene,phosphorene,and boron nitride have all been discovered as 2DNMs with strong potential for gas sensors.This review presents an in-depth analysis of current advances in 2DNM research.It includes synthetic techniques,structural stabilities,gas-sensing mechanisms,critical performance parameters,and factors influencing gas-sensing capabilities of 2DNMs.Furthermore,the present study emphasizes structural engineering and optimization methodologies that improve gas-sensing performance.It also highlights current challenges and outlines future research directions in the domain of tailoring 2DNMs for advanced RT gas sensors.This systematically designed comprehensive review article aims to provide readers with profound insights into gas detection,thereby inspiring the generation of innovative ideas to develop cutting-edge 2DNMs-based gas sensors.

关键词： 2D nanomaterials synthetic strategies Structural stability gas-sensing mechanism

Chemical passivation of methylammonium fragments eliminates traps,extends charge lifetimes,and restores Structural stability of CH_(3)NH_(3)PbI_(3) perovskite

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Nano Research 2022年第5期15卷 4765-4772页

作者： Xi Zhao Wei-Hai Fang Run Long Oleg V.Prezhdo College of Chemistry Key Laboratory of Theoretical&Computational Photochemistry of Ministry of EducationBeijing Normal UniversityBeijing 100875China Department of Chemistry University of Southern CaliforniaLos AngelesCalifornia 90089USA

Hybrid organic-inorganic perovskites are currently considered the most promising next-generation photovoltaic material.However,poor stability,arising from structural degradation under exposure to moisture,heat,and strong current,remains a critical challenge for their device applications.Using ab initio nonadiabatic molecular dynamics,we demonstrate that methylamine fragments deriving from the dissociation of the methylammonium cation can undermine Structural stability,produce deep hole traps,and decrease charge carrier lifetimes by 1-3 orders of magnitude.Both stability and charge lifetime can be restored by methylamine passivation with chlorines,which withdraw electrons from the lone electron pair of methylamine and bring the trap levels down into the valence band.The charge lifetime of the passivated system is even longer than that of the pristine perovskite.The simulations reveal the detailed microscopic mechanism underlying deterioration of perovskite performance due to molecular defects,and demonstrate an effective defect passivation strategy to obtain highly efficient and stable perovskite solar cells.

关键词： hybrid organic-inorganic perovskites Structural stability methylammonium dissociation chlorine passivation time-domain density functional theory nonadiabati cmolecular dynamics

支柱策略增强离子传输和结构稳定性的KVPO4F用于超稳定的钾离子电池正极

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Science Bulletin 2023年第6期68卷 593-602,M0004页

作者：赵敬秦棪阳李龙吴虎贾鑫朱小龙赵洪洋苏亚琼丁书江 School of Chemistry University Engineering Research Center of Shaanxi ProvinceEngineering Research Center of Energy Storage Materials and Devices(Ministry of Education)Xi’an Jiaotong UniversityXi’an 710049China

近年来,由于丰富的钾资源储量和低廉的价格,钾离子电池在大规模储能领域表现出极大的应用前景.开发具有高安全性、高能量密度、低成本、长寿命的正极材料是推动钾离子电池实用化的关键.KVPO4F(KVPF)因其工作电压高、能量密度高、热稳定... 详细信息

近年来,由于丰富的钾资源储量和低廉的价格,钾离子电池在大规模储能领域表现出极大的应用前景.开发具有高安全性、高能量密度、低成本、长寿命的正极材料是推动钾离子电池实用化的关键.KVPO4F(KVPF)因其工作电压高、能量密度高、热稳定性好,被认为是一种很有前途的钾离子电池正极材料.然而,由于大半径的钾离子反复脱出/嵌入导致较慢的动力学和大的体积变化,从而影响材料循环稳定性.本文通过将大半径铯离子引入KVPF结构中的“支柱”策略,可有效提高材料的离子传导特性,并改善充放电过程中材料的结构稳定性,从而实现铯掺杂的KVPF正极优异的储钾性能.同时,高循环稳定性的KVPF//石墨全电池也展示了其在钾离子电池中巨大的实际应用潜力.

关键词： Ion transport Structural stability KVPO4F Cs-substitution Stable potassium-ion batteries

Effects of Metal Cations and Counter Anions on the Structural stability of Isoquinoline-Based Metallo-Supramolecular Cages

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Chinese Journal of Chemistry 2023年第21期41卷 2793-2800页

作者： Zhi Chen Yinghao Xie Heng Wang Xiujun Yu Xiaopeng Li College of Chemistry and Environmental Engineering Shenzhen UniversityShenzhenGuangdong518060 China Shenzhen University General Hospital Shenzhen University Clinical Medical AcademyShenzhenGuangdong518055 China

Metallo-supramolecular architectures that are constructed by coordination-driven self-assembly have received tremendous attention on account of their diverse yet molecular-level precise structures and broad applications.Of particular,metal cations and counter anions are fundamentally important in terms of self-assembly,characterization and property;however,their effects on the structural stabilities of metallo-supramolecular architectures have seldom been investigated.To address this issue,herein,a series of octahedral metallo-cages that are capable of tolerating with five metal cations(Pd^(2+),Cu^(2+),Ni^(2+),Co^(2+)and Zn^(2+)),and five counter anions(ClO_(4)^(–),OTf^(–),BF_(4)^(–),NTf_(2)^(–)and NO_(3)^(–))are constructed by the coordination-driven self-assembly of a well-designed tritopic isoquinoline-based ligand with corresponding metal salts.Structural stability studies show that metal cations and counter anions play a critical role in the stability of the resulting cages depending on their coordination abilities and stacking manners.This work provides deep insights in the ever-diversifying field of metallo-supramolecular chemistry,and will enable us to design more sophisticated assembled structure with desired function.

关键词： Supramolecular chemistry Structural stability Isoquinoline Octahedral cages Coordination-driven self-assembly

The existence form and synergistic effect of P in improving the Structural stability and electrochemical performance of Li_(2)Mn_(0.5)Fe_(0.5)SiO_(4)/C cathode materials

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Journal of Materiomics 2018年第3期4卷 179-186页

作者： Lei Wei Shi-Xi Zhao Xia Wu Shu-Jin Zhao Ce-Wen Nan Graduate School at Shenzhen Tsinghua UniversityShenzhen518055China School of Materials Science and Engineering Tsinghua UniversityBeijing100084China School of Materials Science and Engineering Jiamusi UniversityJiamusi154007China

Nano-Li_(2)Mn_(0.5)Fe_(0.5)SiO_(4)/C cathode material is synthesized by a hydrothermal route and phosphorus substitution is applied to improve Structural stability and electrochemical properties.At low substitution content,P element completely enters into the lattice,forms[PO_(4)]tetrahedrons and partially replaces[SiO_(4)]tetrahedrons,which is confirmed by X-ray diffraction and X-ray photoelectron spectroscope measurements.Phosphorus substitution helps to suppress the change of coordination number of Mn and stabilize the material structure to some extent,obtaining better electrochemical performance in the early cycle.With the increase of P content,parts of P element exist in Li_(3)PO_(4)which distributes uniformly and co-exists with active substance.Electrochemical tests prove that existing Li_(3)PO_(4)has positive impacts on cycle and rate performance,and the lithium ion diffusion coefficient increases by about 14 times than pristine sample.Under the synergistic effects of phosphate substation and proper Li_(3)PO_(4),Li_(2)Mn_(0.5)Fe_(0.5)SiO_(4)/C shows enhanced electrochemical performances.

关键词： Lithium-ion batteries Cathode material Li_(2)Mn_(0.5)Fe_(0.5)SiO_(4)/C P-doping Synergistic effect Structural stability

Structural stability and Half Metallic Features of Zn_(0.5)Cr_(0.5)S under Pressure

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Journal of Materials Science & Technology 2014年第3期30卷 234-238页

作者： Yuhong Huang Wanqi Jie Yan Zhou Gangqiang Zha State Key Laboratory of Solidification Processing School of Materials Science and Engineering Northwestern Polytechnical University

Spin-polarized first-principle was performed to study the Structural stability and the electronic states of Cr doped ZnS with the Cr component of 50% in zincblende （ZB）, wurtzite （W） and rocksalt （RS） structures under pressure. The results show that the zincblende and wurtzite structures become unstable under low pressures of about 4.68 and 9.61 GPa, respectively, but the rocksalt structure can be maintained up to an extremely high pressure of about 32.92 GPa. Both zincblende and wurtzite Zno.sCro.5S display half metallic features under pressure, while rocksalt Zno.sCro.sS exhibits metallic feature. The half metallic features can be ascribed to the stronger interactions between S-3p and Cr-3d states and the metallic feature is due to the higher crystal symmetry of rocksalt Zn0.5Cr0.5S. These results can provide helpful guidance for Cr doped ZnS to be used in spintronic devices.

关键词： Structural stability Half metallic features Electronic properties Zn0.5Cr0.5S Pressure

Structural stability and electronic properties of carbon star lattice monolayer

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Chinese Physics B 2014年第9期23卷 310-313页

作者：范雪兰牛春要王新全王建涛李捍东 Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of Sciences State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental Sciences

By means of the first-principles calculations, we have investigated the Structural stability and electronic properties of carbon star lattice monolayer and nanoribbons. The phase stability of the carbon star lattice is verified through phononmode analysis and room temperature molecular dynamics simulations. The carbon star lattice is found to be metallic due to the large states across the Fermi-level contributed by Pz orbital. Furthermore, the nanoribbons are also found to be metallic and no spin polarization occurs, except for the narrowest nanoribbon with one C12 ring, which has a ferromagnetic ground state. Our results show that carbon star lattice monolayer and nanoribbons have rich electronic properties with great potential in future electronic nanodevices.

关键词： carbon star lattice Structural stability electronic properties first-principles calculations

Enhanced Structural stability of adenovirus nanocapsule

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Progress in Natural Science:Materials International 2014年第2期24卷 171-174页

作者： Ding Weng Ziyue Karen Jiang Jing Jin Lily Wu Yunfeng Lu Chemical and Biomolecular Engineering University of California at Los Angeles Tissue Engineering Laboratories VA Boston Healthcare System Department of Orthopaedic Surgery Brigham and Women's Hospital Harvard Medical School Molecular and Medical Pharmacology University of California at Los Angeles Getein Biotechnology Co. Ltd.

Application of viral vector in gene therapy and vaccination is still limited by their Structural stability, which significantly increased avoidable cost in storage and transportation. Herein a non-covalent conjugated low-pH degradable nanocapsule has been adopted to stabilize viral vectors. By utilizing a luciferase expressing adenovirus, AdCMVLuc, we succeeded in a raise of over 11 folds in AdCMVLuc’s Structural stability after 12 days storage at 4 1℃.

关键词： Non-covalent nanocapsule Adenovirus Structural stability

Study of high pressure Structural stability of CeO_2 nanoparticles

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Chinese Physics C 2013年第9期37卷 94-98页

作者：刘波刘然李全军姚明光邹勃崔田刘冰冰刘景 State Key Laboratory of Superhard Materials Jilin University Institute of High Energy Physics Chinese Academy of Sciences

In situ high pressure XRD diffraction and Raman spectroscopy have been performed on 12 nm CeO2 nanoparticles. Surprisingly, under quasihydrostatic conditions, 12 nm CeO2 nanoparticles maintain the fluorite- type structure in the whole pressure range （0-51 GPa） during the experiments, much more stable than the bulk counterpart （PT-31 GPa）. In contrast, they experienced phase transition at pressure as low as 26 GPa under non- hydrostatic conditions （adopting CsC1 as pressure medium）. Additionally, 32-36 nm CeO2 nanoparticles exhibit an onset pressure of phase transition at 35 GPa under quasihydrostatic conditions, and this onset pressure is much lower than our result. Further analysis shows both the experimental condition （i.e., quasihydrostatic or non-hydrostatic） and grain size effect have a significant impact on the high pressure behaviors of CeO2 nanomaterials.

关键词： Ce02 nanomaterials high pressure experimental conditions grain size effect Structural stability