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Published in 2020 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202002176
Abstract: Modulating nitrogen‐rich nitrides with favorable electron structure to enhance hydrogen production activity is challenging due to thermodynamically unfavorable characteristics. Herein, an ultrathin heterojunction of metallic Co and nitrogen‐rich nitride (Co‐Mo5N6) is prepared through the ammonia…
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Keywords:
mo5n6;
hydrogen;
electron redistribution;
nitrogen rich ... See more keywords
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Published in 2017 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2017.08.028
Abstract: Abstract The structural, thermodynamic and spectral properties of photocatalytically active composite copolymers of polytitaniumoxide and hydroxyethyl methacrylate TiO2/HEMA and the copolymers with incorporated gold nanoparticles (AuNPs) TiO2/HEMA/Au have been studied using the DFT and TD-DFT…
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Keywords:
photoinduced electron;
gold nanoparticles;
electron redistribution;
structure ... See more keywords
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Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.102.035403
Abstract: The study of an external force triggering the many-electron redistribution in nanostructures is of importance for both theoretical and practical interest in condensed matter physics. Hence, the goal of this contribution is to theoretically investigate…
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Keywords:
center mass;
external electric;
many electron;
electron redistribution ... See more keywords