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Published in 2021 at "Applied Materials Today"
DOI: 10.1016/j.apmt.2021.101177
Abstract: Abstract Identifying efficient and low-cost catalysts for electrocatalytic and photocatalytic hydrogen evolution reaction (HER) is critical for renewable energies, yet it remains an immense challenge. Through density functional theory calculations, we systematically investigate the great…
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Keywords:
atom;
hydrogen evolution;
atom anchored;
photo electro ... See more keywords
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Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.150547
Abstract: Abstract Exploring highly efficient, economical and environment-friendly multifunctional electrocatalysts is an essential precondition for the development of renewable energy conversion and storage technology. Herein, a systematic computation based on the density functional theory (DFT) was…
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Keywords:
transition metal;
atom;
atom anchored;
activity ... See more keywords
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Published in 2023 at "Chemical communications"
DOI: 10.1039/d3cc00933e
Abstract: Catalytic microsweepers with a single-iron-atom center were designed to search for and inhibit Helicobacter pylori. Under dynamic navigation, the microsweepers displayed a large-range wall-adhering reciprocating motion, which increased the opportunity for interaction between microsweepers and…
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Keywords:
atom;
single atom;
microsweepers pylori;
anchored microsweepers ... See more keywords
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Published in 2019 at "Molecular Physics"
DOI: 10.1080/00268976.2019.1580783
Abstract: By density functional theory (DFT) calculations, it is found that the single-atom Fe anchored three Si modified defective graphene (3Si-graphene-Fe) exhibits the high stability, and this system is semiconducting property and has non-magnetic moment. Besides…
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Keywords:
structural electronic;
graphene;
atom anchored;
single atom ... See more keywords