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Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202208724
Abstract: A distinct type of metavalent bonding (MVB) is recently proposed to explain an unusual combination of anomalous functional properties of group IV chalcogenide crystals, whose electronic mechanisms and origin remain controversial. Through theoretical analysis of…
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Keywords:
bonding origins;
metavalent bonding;
group;
properties group ... See more keywords
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Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.109540
Abstract: Abstract By adopting the first-principles methods based on the density functional theory, we studied the electronic and magnetic properties of group-V MX2 (M = V, Nb, Ta; X = S, Se, Te) monolayers with atomic-sized structural defects. We firstly…
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Keywords:
properties group;
group tmds;
magnetic properties;
electronic magnetic ... See more keywords
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Published in 2020 at "Superlattices and Microstructures"
DOI: 10.1016/j.spmi.2019.106326
Abstract: Abstract Vacancy defects are almost inevitable in the synthesis process and have important effects on the physical properties of two-dimension (2D) materials. Using first-principles calculations based on the density functional theory (DFT), we investigated the…
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Keywords:
properties group;
vacancy;
group tellurides;
vacancy defects ... See more keywords
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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27113437
Abstract: Secretory group V phospholipase A2 (PLA2-V) is known to be involved in inflammatory processes in cellular studies, nevertheless, the biochemical and the enzymatic characteristics of this important enzyme have been unclear yet. We reported, as…
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Keywords:
group phospholipase;
biochemical kinetic;
biological properties;
group ... See more keywords