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Source: Carbon. 2022. Vol. 192. P. 61-70
Type: статьи в журналах
Date: 2022
Description:
Extreme structure and spin states of doped and undoped perforated bigraphenes was studied using DFT simulations. It was found that folded nanopores possess extremely high curvature of 0.34 Å−1. Dramat
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Source: Computational materials science. 2021. Vol. 197. P. 110610 (1-6)
Type: статьи в журналах
Date: 2021
Description:
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
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