Lithium-rich disordered rocksalt cathodes {display|show} {high|higher} capacities arising from redox chemistry on {both|each} transition-metal and oxygen ions and are {potential|possible|prospective} candidates for next-generation lithium-ion batteries. The atomic-scale mechanisms governing this O-redox behaviour, {however|nevertheless|nonetheless|even so|on the other hand|having said that}, {are not|aren’t|usually are not|will not be|are certainly not|are usually not} {fully|totally|completely} understood. In {particular|specific|certain|distinct|unique}, {it is|it’s|it really is|it truly is|it can be|it is actually} not clear to what extent transition metal migration is {required|needed|necessary|essential|expected} for O-redox and what {role|function|part} this {may|might|could|may possibly|may well|may perhaps} play in explaining voltage hysteresis in these {materials|supplies|components}. {Here|Right here}, we reveal an O-redox mechanism linking transition metal migration and O2 formation {in the|within the|inside the} disordered rocksalt Li2MnO2F. At {high|higher} states of charge, O-ions dimerise to {form|type|kind} molecular O2 trapped {in the|within the|inside the} bulk structure, leaving vacant O {sites|websites|web sites|internet sites|web-sites|web pages} surrounding neighbouring Mn ions. This undercoordination drives Mn movement into new fully-coordinated octahedral {sites|websites|web sites|internet sites|web-sites|web pages}. Mn displacement can {occur|happen|take place} irreversibly, which {results|outcomes|final results|benefits} in voltage hysteresis, {with a|having a|using a} {lower|reduce|reduced|decrease} voltage upon discharge as observed experimentally. Alternatively, Mn displacement {may|might|could|may possibly|may well|may perhaps} take {place|location|spot} into interstitial octahedral {sites|websites|web sites|internet sites|web-sites|web pages}, which permits a reversible return {of the|from the|in the|on the|with the|of your} Mn ion to its original {site|website|web site|internet site|web-site|web page} upon discharge, recovering the original Li2MnO2F structure and resulting in reversible O-redox {without|with out|without having|with no|devoid of|without the need of} voltage loss. These new findings {suggest|recommend} that reversible transition metal ion migration {provides|offers|gives|supplies|delivers} a {possible|feasible|achievable|attainable|doable|probable} {design|style|design and style} route to retain the {high|higher} {energy|power} density of O-redox disordered rocksalt cathodes on cycling. CataCXium A Pd G2 uses (S)-1,2,3,4-Tetrahydronaphthalen-2-amine web PMID:24428212
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