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Published in 2019 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.12.036
Abstract: Abstract The pursuit of a material capable of storing a high capacity of hydrogen (H2) efficiently has prompted us to study the structural, electronic and H2 storage properties of recently designed two-dimensional BN2 nanosheets. Our…
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Keywords:
nano sheets;
inorganic nano;
storage;
bn2 ... See more keywords
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Published in 2019 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.8b20566
Abstract: Searching for high-performance electrode materials is one of the most effective ways to improve the energy density of current lithium-ion batteries. Using first-principles calculations, we reveal that pentagonal BN2 (Penta-BN2) can serve as a compelling…
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Keywords:
bn2;
ion batteries;
capacity;
penta bn2 ... See more keywords
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Published in 2021 at "Chinese Physics Letters"
DOI: 10.1088/0256-307x/38/1/018101
Abstract: Considering that pressure-induced formation of short, strong covalent bonds in light-element compounds can produce superhard materials, we employ structure searching and first-principles calculations to predict a new class of boron nitrides with a stoichiometry of…
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Keywords:
energy density;
structure;
high energy;
bn2 ... See more keywords