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Latest Review Papers in Physical Chemistry and Chemical Physics

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Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture Technology, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China
Interests: gas-phase chemistry; C1 chemistry; fine chemistry
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Topical Collection Information

Dear Colleagues,

Theoretical and computational methods are revolutionizing physical chemistry and chemical physics, enabling molecular-level insights with unprecedented accuracy and scale. This Topical Collection will highlight the cutting-edge developments driving this transformation, from high-level quantum chemistry and first-principles simulations to the transformative integration of Artificial Intelligence (AI) and Machine Learning (ML). The synergy of AI with fundamental theory is forging new paradigms for discovery, accelerating the design of materials and the mapping of complex chemical processes.

This collection exclusively invites review articles. We seek contributions from leading experts that survey recent breakthroughs, assess the state of the art, and chart future directions in this dynamic field. These reviews will serve as essential guides for the next generation of theoretical and computational scientists. 

Dr. Shaodong Zhou
Collection Editor

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Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the collection website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • physical chemistry
  • chemical physics
  • quantum chemistry
  • first-principles calculations
  • computational chemistry
  • artificial intelligence in chemistry
  • machine learning potentials
  • theoretical chemistry

Published Papers (1 paper)

2026

75 pages, 10499 KB  
Review
Nanostructured Cathode Materials for Rechargeable Lithium-Ion Batteries: Synthesis, Morphology, and Performances
by Rasha S. El-Tawil, Ashraf E. Abdel-Ghany, Ahmed M. Hashem, Alain Mauger and Christian M. Julien
Int. J. Mol. Sci. 2026, 27(15), 6797; https://doi.org/10.3390/ijms27156797 - 29 Jul 2026
Viewed by 770
Abstract
High-performance energy sources for electric vehicles and portable electronic devices require state-of-the-art lithium-ion batteries (LIBs) characterized by high energy density, superior power output, and excellent long-term cycling stability. Among the various components of LIBs, the cathode material plays a decisive role in determining [...] Read more.
High-performance energy sources for electric vehicles and portable electronic devices require state-of-the-art lithium-ion batteries (LIBs) characterized by high energy density, superior power output, and excellent long-term cycling stability. Among the various components of LIBs, the cathode material plays a decisive role in determining the electrochemical performance, safety, and commercial viability of the battery. To meet the growing demands of modern applications, these materials must combine high capacity with structural stability, thermal safety, cost-effectiveness, and excellent rate capability. This article reviews the most widely used cathode materials with layered, spinel, and olivine structures. Their key advantages and intrinsic limitations are analyzed in detail, alongside strategies to enhance performance through elemental doping and surface coating approaches. Furthermore, the review presents simple, cost-effective, and industrially scalable synthesis methods, and highlights advanced characterization techniques that provide a deeper understanding of their nanostructured features and electrochemical behavior. Full article
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