Materials Project
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Spinel Compounds as Multivalent Battery Cathodes: A Systematic Evaluation Based on ab initio Calculations
A high-throughput strategy to systematically screen multivalent cathode materials based on comprehensive computational first-principles property evaluations has been developed and has been used to identify Mn2O4 as a feasible host candidate, with Ca2+ and possibly Mg2+ as mobile cations Read More
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Screening of Novel Multivalent Cathodes
Developed strategies and software infrastructure for generation and design of multivalent intercalation candidates Read More
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JCESR-supported research makes cover of Science: New electrolyte bolsters rechargeable battery design
This press release was authored by the A. James Clark School of Engineering, University of Maryland. The energy contained within lithium-ion batteries has the potential to reshape the technology of the future battlefield, creating a worldwide demand for key lithium-ion battery materials … Read More
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Toward the Development of a High-VoltageMg Cathode Using a Chromium Sulfide Host
The electrochemical behavior of MgM2S4 (M = Ti, Cr) thiospinels was investigated experimentally and their redox activity was understood through analysis of the computed electronic density of states. Read More
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Understanding and enhancing ion transport in a systematic series of polyacetal electrolytes
Polyacetal electrolytes can electrochemically outperform the well-established poly(ethylene oxide) systems used in Li-ion batteries. In this work, we employ a suite of experimental and theoretical techniques to reveal the underlying molecular interactions between cations, anions and the polyacetal host that lead to improved electrochemical efficacy. Read More
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A Comparative Study of Organic Radical Cation Stability and Coulombic Efficiency for Nonaqueous Redox Flow Battery Applications
The charged forms of high oxidation potential posolytes exhibited either self-discharge or a combination of self-discharge and molecular degradation, limiting CE and/or cycle lifetime in the galvanostatic cycling, presenting a challenge of utilizing high potential compounds in nonaqueous RFBs. Read More
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Employing the Dynamics of the Electrochemical Interface at Aqueous Zinc-Ion Battery Cathode
This report illustrates how dissolution, once seen as a fundamental drawback for MnO2 cathodes, can fortify capacity in AZIBs and provides guidance for expanding this concept and developing other systems that can reversibly deposit and dissolve the active material in a dynamic manner. Read More
