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Published in 2019 at "Results in physics"
DOI: 10.1016/j.rinp.2019.102533
Abstract: Abstract Recently, the equiatomic quaternary Heusler alloy CoFeCrGe has been demonstrated to be half-metallic ferromagnet and possesses high Curie temperature of 866 K (Enamullah et al., 2015). However, its Fermi level locates at the edge of…
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Keywords:
metallicity;
atomic doping;
quaternary heusler;
half metallicity ... See more keywords
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Published in 2025 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.5c04975
Abstract: Interface engineering in conjunction with atomic doping has emerged as a powerful paradigm for constructing highly efficient catalysts for the oxygen evolution reaction (OER). Herein, we design Ir-doped FeSe@CoNiFeSe (Ir-FeSe@CoNiFeSe) as an efficient OER catalyst…
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Keywords:
interface engineering;
fese conifese;
core shell;
atomic doping ... See more keywords
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Published in 2022 at "Nanotechnology"
DOI: 10.1088/1361-6528/ac6f64
Abstract: Recently, a new two-dimensional allotrope of carbon named biphenylene has been experimentally synthesized. First-principles calculations are preformed to investigate the electronic properties of biphenylene and the doping effect is also considered to tune its electronic,…
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Keywords:
catalytic behaviors;
magnetic catalytic;
tuning electronic;
atomic doping ... See more keywords
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Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.97.075430
Abstract: Engineering atomic-scale structures allows great manipulation of physical properties and chemical processes for advanced technology. We show that the B atoms deployed at the centers of honeycombs in boron sheets, borophene, behave as nearly perfect…
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Keywords:
atomic doping;
associated atomic;
bonding;
peculiar bonding ... See more keywords
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Published in 2025 at "Journal of Materials Research"
DOI: 10.1557/s43578-025-01596-6
Abstract: This study systematically investigates the influence of atomic doping (Ru, Pd, Os, Ir, Au, Rh) on thermodynamic stability, elastic modulus, and electronic structure of Pt-based alloys using first-principles methods. Calculations of cohesive energy confirm the…
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Keywords:
solid solution;
atomic doping;
structure;
based alloys ... See more keywords
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Published in 2023 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2023.1162909
Abstract: Biochar materials have attracted people’s attention because of their environmental friendliness, abundant resources, and the use of waste resources for reuse. As a potassium-ion anode material, biomass char materials synthesized by different methods have broad…
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Keywords:
ion batteries;
potassium ion;
biomass;
atomic doping ... See more keywords