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increased C-C distance → weakening of π bonds
crumpled structure → sp2 to sp3 transition
Bonded (B)
Non-bonded (NB)
X-GRAPHENE
repulsion bet. adsorbate atoms and π electronic clouds == vdW forces
no distortion in graphene layer
More stable than the corresponding B systems
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DFT-ORR 20160907
By JM Mora