Thiol-Ene Click Chemistry as a Tool for a Novel Family of Polymeric Ionic Liquids

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Accelerated Workflow for Antiperovskite-based Solid State Electrolytes

Andrea Fedrigucci, Ivano Eligio Castelli

We developed and implemented a multi-target multi-fidelity workflow to explore the chemical space of antiperovskite materials with general formula X(3)BA (X=Li, Na, Mg) and Pm-3m space group, searching for stable high-performance solid state electrolytes f ...

WILEY-V C H VERLAG GMBH2023

Learning Linearized Degradation of Health Indicators using Deep Koopman Operator Approach

Olga Fink, Sergei Garmaev

With the current trend of increasing complexity of industrial systems, the construction and monitoring of health indicators becomes even more challenging. Given that health indicators are commonly employed to predict the end of life, a crucial criterion fo ...

Research Publishing2023

A water-gating and zinc-sieving lignocellulose nanofiber separator for dendrite-free rechargeable aqueous zinc ion battery

Kangning Zhao, Zequan Li, Xu Zhang

The sustainable development of rechargeable aqueous zinc-ion batteries (RZIBs) is severely limited by the uncontrolled zinc dendritic growth and side reactions on the anode. Herein, a lignocellulose nanofiber (LCNF) separator from waste palm with dual-func ...

ELSEVIER SCIENCE SA2023

Pathways to enhance electrochemical CO2 reduction identified through direct pore-level modeling

Sophia Haussener, Etienne Boutin, Shuo Liu, Evan Fair Johnson

Electrochemical conversion of CO2 to fuels and valuable products is one pathway to reduce CO2 emissions. Electrolyzers using gas diffusion electrodes (GDEs) show much higher current densities than aqueous phase electrolyzers, yet models for multi-physical ...

2023

Uncertainty quantification in machine learning for engineering design and health prognostics: A tutorial

Olga Fink, Luca Biggio

On top of machine learning (ML) models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and reliability impr ...

2023

Deriving Major Ion Concentrations at High Resolution from Continuous Electrical Conductivity Measurements in Karst Systems

Paolo Benettin

Time series of hydrochemical parameters support the investigation of dominant karst hydrological processes and conceptual model structures. Nevertheless, high costs for sample collection and analyses cause hydrochemical data to be rarely available at a suf ...

SPRINGER INTERNATIONAL PUBLISHING AG2023

Hypervalent Iodine: New Reagents and Functionalization of Peptides

Eliott Hugo Joran Le Du

Alkynes are found in a multitude of natural or synthetic bioactive compounds. In addition to the capacity of these chemical motifs to impact the physicochemical properties of a molecule of interest, the well-established reactivity of alkynes makes them ide ...

EPFL2023

Accelerating the theoretical study of Li-polysulfide adsorption on single-atom catalysts via machine learning approaches

Kevin Rossi

Li-S batteries are a promising alternative to Li-ion batteries, offering large energy storage capacity and wide operating temperature range. However, their performance is heavily affected by the Li-polysulfide (LiPS) shuttling. Computational screening of L ...

WILEY2022

Enhanced rate performance of lithium-ion battery anodes using a cobalt-incorporated carbon conductive agent

Xile Hu, Albert Claude Jean-Pierre Daubry, Ming Yang

Lithium-ion batteries with enhanced rate performance are of crucial importance for practical applications. Extensive studies on the structural design and surface modification of electrode materials with the aim of improving the rate performance have been r ...

ROYAL SOC CHEMISTRY2022

A Nearly Zero-Strain Li-Rich Rock-Salt Oxide with Multielectron Redox Reactions as a Cathode for Li-Ion Batteries

Corsin Battaglia, Chunyang Zhang, Xiao Liu, Yong Yang, Yining Li

Li-rich oxide cathodes are drawing increasing attention as next-generation cathode materials for the development of high-energy-density Li-ion batteries due to their strikingly high capacities. However, transition-metal migration, irreversible structural p ...