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The maximum gravimetric density was investigated by sequentially adding H2 molecules to the Li-decorated single vacancy defective phosphorene.
The Li-decorated single vacancy phosphorene is found to possess a gravimetric density of around 5.3% for hydrogen storage.
In the second case, the single vacancy is attracted to the germanium cluster as well as to the substrate surface.
We have applied the method to solve for the lattice distortion of a single vacancy and a single germanium substitution.
Three types of randomly dispersed defects are examined, namely Stone-Wales (SW), single vacancy (SV) and double vacancy (DV).
Our results show that rough edge and single vacancy (5 9) in bilayer germanene diminishes the current around 47%and58%8% respectively as compared with pristine bilayer germanene.
Similar(12)
The results show that single vacancies and di-vacancies in SWCNTs have different reconstructions.
The lowest segregation energies are −0.27 and −0.41 eV at single vacancies and divacancies, respectively.
Strained carbon bonds located at heptagons and pentagons can accumulate interstitials and single vacancies, respectively.
The main effect of quenches is to modify the concentration of single vacancies in the system.
In particular, our Density Functional Theory calculations suggest that Co and Ni atoms embedded into the single vacancies of graphene can activate the O2 molecule and contribute to the decomposition of peroxide.
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