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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 2025 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202504261
Abstract: Layered transition metal (TM) oxides have garnered great attention as viable cathodes for sodium‐ion batteries (SIBs), but the challenges of complicated multiphase transitions, severe structural deterioration and unstable oxygen redox reaction still hamper their practical…
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Keywords:
oxygen redox;
electron redistribution;
orbital hybridization;
oxygen ... 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 2024 at "Chemical Science"
DOI: 10.1039/d4sc06818a
Abstract: Constructing highly efficient electrocatalysts via interface manipulation and structural design to facilitate rapid electron transfer in electrocatalytic nitrate-to-ammonia conversion is crucial to attaining superior NH3 yield rates. Here, a Mott–Schottky type electrocatalyst of Co/In2O3 with…
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Keywords:
nitrate ammonia;
ammonia performance;
electrocatalytic nitrate;
ammonia ... 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