ArticleJournal of fluorescence2026
Atomic-Level Design of a Multifunctional MnC
Article in Journal of fluorescence, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
3 authors.
Funding
Abstract
The development of multifunctional materials capable of combining hydrogen storage with energy-conversion properties is important for sustainable energy technologies. Herein, first-principles density functional theory (DFT) calculations are employed to systematically investigate the structural, electronic, magnetic, optical, thermodynamic, thermoelectric, vibrational, and hydrogen adsorption properties of the MnC₃₀:H nanocage. Structural optimization indicates that the system is energetically stable, while phonon calculations reveal the absence of imaginary frequencies, confirming its dynamical stability. The nanocage possesses a magnetic moment of approximately 4.0 µ
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