Articles with "fen cn1" as a keyword



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Towards advanced complex quantum materials for spin-related applications and photo-induced heterogeneous catalysis: The case of (Fen)@g-CN1 (n = 2,3) and (Mn)@(g-CN1)2

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Published in 2021 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2021.110610

Abstract: Abstract Perspective heterostructures based on Fe and Mn adatoms on 2D g-C3N4 films of different morphology were designed and investigated by means of DFT GGA/PBE and GGA/HSE levels of theory. Spontaneous spin polarization of g-C3N4… read more here.

Keywords: spin related; fen cn1; quantum materials; catalysis ... See more keywords