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http://dx.doi.org/10.1039/c6cc90471h | DOI Listing |
Front Robot AI
January 2025
School of Metallurgy and Materials, University of Birmingham, Birmingham, United Kingdom.
Introduction: The transition to electric vehicles (EVs) has highlighted the need for efficient diagnostic methods to assess the state of health (SoH) of lithium-ion batteries (LIBs) at the end of their life cycle. Electrochemical Impedance Spectroscopy (EIS) offers a non-invasive technique for determining battery degradation. However, automating this process in industrial settings remains a challenge.
View Article and Find Full Text PDFNat Commun
January 2025
Key Laboratory of Quantum Materials and Devices of Ministry of Education, School of Physics, Southeast University, Nanjing, 21189, China.
Directly generating material structures with optimal properties is a long-standing goal in material design. Traditional generative models often struggle to efficiently explore the global chemical space, limiting their utility to localized space. Here, we present a framework named Material Generation with Efficient Global Chemical Space Search (MAGECS) that addresses this challenge by integrating the bird swarm algorithm and supervised graph neural networks, enabling effective navigation of generative models in the immense chemical space towards materials with target properties.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta, Canada T6G 2G2.
Rigid, conjugated molecules are excellent candidates as molecular wires since they can achieve full extension between electrodes while maintaining conjugation. Molecular design can be used to minimize the accessible pi surface and interactions between the bridging wire and the electrode. Polyynes are archetypal molecular wires that feature a rigid molecular framework with a cross-section of a single carbon atom.
View Article and Find Full Text PDFSmall Methods
January 2025
College of Physics and Energy, Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, Fujian Normal University, Fuzhou, 350117, China.
The Solid Electrolyte Interphase (SEI) is a nanoscale thickness passivation layer that forms as a product of electrolyte decomposition through a combination of chemical and electrochemical reactions in the cell and evolves over time with charge/discharge cycling. The formation and stability of SEI directly determine the fundamental properties of the battery such as first coulombic efficiency (FCE), energy/power density, storage life, cycle life, and safety. The dynamic nature of SEI along with the presence of spatially inhomogeneous organic and inorganic components in SEI encompassing crystalline, amorphous, and polymeric nature distributed across the electrolyte to the electrolyte-electrode interface, highlights the need for advanced in situ/operando techniques to understand the formation and structure of these materials in creating a stable interface in real-world operating conditions.
View Article and Find Full Text PDFSci Total Environ
January 2025
Ability R&D Energy Research Centre, School of Energy and Environment, City University of Hong Kong, Hong Kong; State Key Laboratory of Marine Pollution, City University of Hong Kong, Hong Kong.
The in-situ electrochemical production of hydrogen peroxide (HO) offers a promising approach for ballast water treatment. However, further advancements are required to develop electrocatalysts capable of achieving efficient HO generation in seawater environments. Herein, we synthesized two-dimensional lamellated porous carbon nanosheets enriched with oxygen functional groups, which exhibited exceptional performance in HO electrosynthesis.
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