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Photochem 2022, 2 707 around 40 kJ/mol, which does not outcompete other systems. In addition, spectral overlap and the increased molecular weight to obtain excellent optical properties have led to a relative decrease in the interest of these compounds [16]. However, the broad tunability and the synthetic availability of different compounds achieved in the last two decades have reactivated their use as MOST candidates. Additionally, the wider scope obtained by azoheteroarenes, in which one of two phenyl rings are modified by a heterocyclic ring, can exponentially increase its possibilities by tuning some of the relevant properties. For instance, we have already discussed that the photosiomerization quantum yield should be as high as possible [78,79]. Thus, this parameter has been subject to extensive research. The effect of various solvents, temperatures, and rigid environments was explored. Zimmerman et al. reported that n–π* quantum yield is more efficient than π–π* in both directions of conversion (cis-trans/trans-cis) and, in accordance with Birnbaum and Style, the absorption in the cis-trans conversion is more efficient (cis-trans: 0.39, while trans-cis: 0.33) [80–82]. This should be carefully considered when designing MOST applications based on azobenzenes. On the other hand, the ability of azobenzenes to absorb light in the visible region to induce the photoisomerization has been considered a clear advantage of these compounds [83]. The poor performance of azobenzenes with respect to energy storage has been ad- dressed differently. In 2014, Grossman and Kolpak performed a series of density functional theory (DFT) computational studies of the azobenzene coupled with carbon nanotubes (CNTs) (Figure 9a). The addition of nanotubes to azobenzene increases the rigidity and conformational hindrance of the structures, so the energy storage per azobenzene increased up to 30% and the storage lifetimes almost reached the unit, in addition to increased fatigue resistance (a half-life (t1/2) of 33 h was observed for the cis isomer) [84]. Figure 9. (a) Azobenzene coupled with carbon nanotubes. (b) (Z)-isomer stabilized by the substitution of the azobenzene. (c) Azobenzene macrocycles. (d) Azoheteroarene derivative. Later, the same authors extended their DFT study, incorporating azobenzenes function- alized with carbon-based templates such as graphene, fullerene, and β-carotene, identifying various potential molecules that have improved properties. Upon modification, the cis- isomer is stabilized by intramolecular hydrogen bonds (Figure 9b), leading to long-termPDF Image | Overview of Molecular Solar Thermal Energy Storage
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