Rechargeable magnesium-ion batteries (MIBs) are a promising {alternative|option} to {commercial|industrial} lithium-ion batteries (LIBs). {They are|They’re|They may be} safer to {handle|deal with|manage}, environmentally {more|much more|a lot more|far more|additional|extra} friendly, and {provide|offer|supply|give|present|deliver} a five-time {higher|greater|larger} volumetric capacity (3832 mAh·cm-3) than commercialized LIBs. {However|Nevertheless|Nonetheless|Even so|On the other hand|Having said that}, the formation of a passivation layer on metallic Mg electrodes {is still|continues to be} {a major|a significant} challenge towards their commercialization. {Using|Utilizing|Making use of|Employing|Working with|Applying} density functional theory, the atomistic properties of metallic magnesium, {such as|like|including|for example|for instance|which include} bulk, surface, and adsorption properties, {were|had been|have been} examined. Well-selected self-diffusion processes on {perfect|ideal|excellent|best|great|fantastic} and imperfect Mg surfaces {were|had been|have been} investigated to {better|much better|far better|greater|superior|improved} {understand|comprehend|realize|recognize|fully grasp|have an understanding of} the initial surface {growth|development} phenomena. Subsequently, {rate|price} constants and activation temperatures of {crucial|essential|vital|critical|important} diffusion processes on Mg(0001) and Mg(101m1) {were|had been|have been} determined, {providing|supplying|offering|delivering|giving} preliminary insights {into the|in to the} surface kinetics of metallic Mg electrodes. 94928-86-6 Chemscene 4-Bromoisoquinolin-5-ol structure PMID:23551549
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