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Published in 2023 at "Advanced Science"
DOI: 10.1002/advs.202205959
Abstract: Rechargeable Li‐CO2 battery represents a sustainable technology by virtue of CO2 recyclability and energy storage capability. Unfortunately, the sluggish mass transport and electron transfer in bulky high‐crystalline discharge product of Li2CO3, severely hinder its practical…
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Keywords:
atomic cluster;
isolated metalloid;
capacity;
battery ... See more keywords
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Published in 2021 at "npj Computational Materials"
DOI: 10.1038/s41524-021-00559-9
Abstract: The atomic cluster expansion is a general polynomial expansion of the atomic energy in multi-atom basis functions. Here we implement the atomic cluster expansion in the performant C++ code PACE that is suitable for use…
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Keywords:
atomic cluster;
expansion;
pace;
cluster expansion ... See more keywords
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Published in 2020 at "Chimia"
DOI: 10.2533/chimia.2020.509
Abstract: From Sunday February 2nd, 2020 until the following Friday, 75 scientists from all over the world gathered in Hotel Laudinella in St. Moritz to discuss their latest findings about surface, cluster and gas phase physics…
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Keywords:
xxii symposium;
cluster surface;
atomic cluster;
symposium atomic ... See more keywords