Beilstein J. Nanotechnol.2017,8, 2484–2491, doi:10.3762/bjnano.8.248
spin switches.
Keywords: activation barrier; density functional theory; iron tetraphenylporphyrin; spinswitch; spin states; Introduction
Porphyrins, phthalocyanines and their transition-metal (TM) complexes are largely investigated in surface science as reported in detail by Gottfried [1]. The
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Figure 1:
Low-symmetry FeTPP conformations: a) ideal (D4h); b) saddle (D2d); c) twist (S4); d) deckchair (C2h...