Israel Journal of Chemistry最新文献

Metal-organic frameworks (MOFs) can alleviate the problems encountered in the application of lithium metal anodes, owing to their tunable structure, abundant pore channels, and controllable surface chemistry ingredient. In this review, large language model (LLM)-assisted text-mining system is utilized to analyze recent literature on MOFs for protecting lithium anodes. LLMs can help us efficiently extract and integrate literature data as assistants, and categorize the functions of MOFs in anode protection into the following four types: 1) ion-flux regulators that homogenize lithium ion (Li⁺) flow by restricting the pore channels, 2) catalytic mediators that induce the formation of a stable solid electrolyte interphase layer, 3) interfacial shielding layers that physically block side reactions, and 4) volume expansion mitigators that buffer stress through a porous framework. Finally, the findings in MOFs-modified lithium metal anodes to other metal anodes such as sodium and zinc, aiming to derive universal principles that can provide insights for the design and development of metal anode protection materials. This article also demonstrates the huge potential of the LLM-driven research paradigm in the field of chemical materials, providing a data-driven, human-artificial intelligence collaborative approach for the development of materials in the future.

This work aims to investigate liquid acetonitrile clusters considering the modified rigid-rotor harmonic oscillator and frequency corrections in the quantum cluster equilibrium (QCE) theory. To carry out this study, acetonitrile isomers with size n ranging from 1 to 12 are considered. Those isomers are generated using the flexible and rapid ABCluster generator distributions while avoiding poor symmetry. After that, geometry optimization and frequency calculations are performed on the selected structures to serve as inputs for applying the quantum cluster equilibrium theory. The temperature range covering the liquid acetonitrile, going from T = 200 to 400 K, is considered with the rigid rotor harmonic oscillator cutoff values of 50 and 100 cm⁻¹. The results show that the population of liquid acetonitrile is dominated by dodecamers, trimers, dimers, and tetramers, as identified in previously studied structures, across the range of liquid acetonitrile temperatures. The thermodynamic properties, such as the entropy and enthalpy of vaporization obtained by the QCE theory, have been compared to the experiment, yielding a relatively good agreement depending on the cluster set considered. Furthermore, based on the predicted population of the liquid acetonitrile, the infrared spectrum has been calculated at 298 K.

Crystallographic anisotropy, be it inherent or externally induced, profoundly impacts the materials’ physical properties, contributing to their ground-state morphology and magnetic arrangement and fostering distinctive optical behavior. Two-dimensional (2D) materials provide a relatively non-complex platform to study these anisotropy-driven properties. This review explores the intricate relationship between structural anisotropy and the resulting physical phenomena in 2D materials, primarily focusing on 2D hybrid perovskites (2D HPs) and transition metal phosphorous trichalcogenides. Case studies of 2D PEA₂PbI₄ HPs and FePS₃ are provided, explaining how intrinsic structural anisotropy originates and manifests as ground state polymorphism in 2D HPs and zigzag antiferromagnetic arrangement in FePS₃. The case of alloyed MnPS₃ is examined, where extrinsically induced anisotropy induces magnetic disorder, impacting its magnetic phase stability and overall optical behavior. This account, thus, underscores the origin and significance of intrinsic and extrinsic anisotropy in manipulating materials’ properties.

The relevance of effective mentoring of doctoral students in the chemical sciences is now widely recognized. However, the scholarly literature on the topic is virtually non-existent, and most approaches to faculty education on mentoring are based on “tips” and “guidelines. Following the analysis of current mentorship practices, we suggest a new approach based on evidence resulting from surveys of doctoral students, and on theory derived from studies in social and human sciences.

The 2023 Nobel Prize awarded to Moungi G. Bawendi, Louis E. Brus, and Alexei Ekimov “for the discovery and synthesis of quantum dots” (QDs) marks a milestone in the field to which I devoted the past 30-years of my career. In this perspective, I reflect on key concepts and directions in my research journey. I began by exploring the “artificial atom” nature of QDs while advancing the development of III-V QDs. Shape control, particularly in rods, captured my attention due to its impact on dimensionality related properties. I also discovered semiconductor-metal hybrid nanocrystals and uncovered synergetic effects, highlighting their transformative role in photocatalysis and heavy doping. My work extended to QD applications in displays and, more recently, to forming coupled QD molecules, continuing the artificial atom theme. I conclude by outlining future directions and challenges, envisioning a bright future for this vibrant field at the intersection of materials and physical chemistry.

Printed electronics is based on the application of 2D and 3D printing technologies to fabricate electronic devices. To fabricate the printed electronic 2D and 3D devices with the required performance, it is necessary to properly select and tailor the conductive inks, which are often composed of nanomaterials, The main nanomaterials in conductive inks for 2D and 3D printed electronics contain conductive nanomaterials such as metal nanoparticles (NPs) and nanowires and carbon based nanomaterials: carbon black, graphene sheets, and carbon nanotubes (CNTs). All these materials were successfully applied for the fabrication of various electronic devices such as electrical circuits, transparent electrodes, flexible thin film transistors, RFID antennas, photovoltaic devices, and flexible touch panels. In this paper, we focus on the basic properties of these nanomaterials, in view of their application in conductive inks, on obtaining conductive patterns by 2D and 3D printing, and on various methods of post-printing treatment. In the last section, a perspective on future needs and applications will be presented, including emerging technologies.