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