Publications related to Insights into the Overcharge-Induced Failure Mechanism of Lithium–Sulfur Batteries

Related publications (7)

Teaching oxidation states to neural networks

While the accurate description of redox reactions remains a challenge for first-principles calculations, it has been shown that extended Hubbard functionals (DFT+U+V) can provide a reliable approach, mitigating self-interaction errors, in materials with st ...

2025

Brokering between tenants for an international materials acceleration platform

Giovanni Pizzi, Francisco Fernando Ramirez

The efficient utilization of resources in accelerated materials science necessitates flexible, reconfigurable software-defined research workflows. We demonstrate a brokering approach to modular and asynchronous research orchestration to integrate multiple ...

CELL PRESS2023

Blatter-type radicals as polarizing agents for electrochemical overhauser dynamic nuclear polarization

Jean-Philippe Ansermet, Holger Frauenrath, Christophe Roussel, Jonas Milani, Mika Antero Tamski, Felipe Andres Saenz Padilla

Overhauser dynamic nuclear polarization (O-DNP) refers to a microwave-assisted process where an unpaired electron's (e.g. a radical) spin polarization is transferred to surrounding nuclei in solution, thus increasing the nuclear magnetic resonance (NMR) si ...

Royal Society of Chemistry2022

Copper battery for heat to power conversion and energy storage

Sunny Isaïe Maye

An important part of the electricity production relies on heat conversion. Indeed power plants burn fuels like natural gas, coal or use nuclear fission to produce heat that can be transformed into electricity through a thermodynamic cycle and the mechanica ...

EPFL2020

High-throughput computational screening for solid-state Li-ion conductors

Nicola Marzari, Leonid Kahle, Aris Marcolongo

We present a computational screening of experimental structural repositories for fast Li-ion conductors, with the goal of finding new candidate materials for application as solid-state electrolytes in next-generation batteries. We start from similar to 140 ...

ROYAL SOC CHEMISTRY2020

Impact of Intermittent Operation on Lifetime and Performance of a PEM Water Electrolyzer

Vasiliki Tileli, Tzu-Hsien Shen

The aim of this study is to provide a better understanding of performance degrading mechanisms occurring when a proton exchange membrane water electrolyzer (PEM-WE) is coupled with renewable energies, where times of operation and idle periods alternate. An ...

ELECTROCHEMICAL SOC INC2019

Molecular wiring of LiMnPO4 (olivine) by ruthenium(II)-bipyridine complexes

Michael Graetzel, Shaik Mohammed Zakeeruddin, Ladislav Kavan

LiMnPO4 (olivine) was surface-modified by two different complexes: Ru-bis(4,4'-diethoxycarbonyl-2,2'-bipyridine)(4,4'-dicarboxylate-2,2'-bipyridine) and Ru-bis(4-carboxylic acid-4'-carboxylate-2,2'-bipyridine)(4,4'-dinonyl-2,2'bipyridine). These complexes ...

Elsevier2009