The obtained structures were refined by structural optimizations and molecular dynamics (MD) simulations.
The numbers of observed NOE peaks, distance constraints, and structural statistics for obtained structures are listed in Table S4 of the Supporting Information.
Elemental and structural analyses of the obtained structures are presented.
We evaluated the structural periodicity, quality, and uniformity in obtained structures for each fabrication step by cross-sectional SEM images.
To clarify the structural differences in detail, the three obtained structures were superimposed, revealing that the cADPtR structure (red) resembles that of cADPR (blue).
Moreover, in order to investigate the possible structural defects that affect the absorption properties of the obtained structures under UV light excitation, a time-dependent density functional theory simulation (TD-DFT) was performed.
The structural parameters, total energies, electronic properties and hardness of the obtained structures have been studied using pseudopotential density functional theory within the local density approximation.
Thus, the obtained structures and final configurations are energy favorable.
The electrical properties of the obtained structures were investigated in both DC and AC regimes.
Electrical parameters of obtained structures have been studied in alternating and direct current modes.
Even though it is a very mature techology, certain ambiguities remain in the obtained structures.
