“…mechanical reinforcement, thermal conduction, and selective permeation of gases), HNPs can be considered promising building blocks for the synthesis of advanced materials for several technological applications, such as tire and rubber industry, catalysis, nanomedicine, coatings, and water treatment. [22][23][24][25] The HNPs organization on shaped-controlled superstructures depends on several parameters such as particle dimension, morphology, surface chemistry, polymer type, grafting density, molecular weight (Mw), 11 and even on the grafting mechanism employees to create the polymer-grafted NP. 26 The theoretical and simulation methods offer an effective way to study the selfassembly behavior of HNPs at the molecular level and investigate how the HNPs morphologies depend on the ligand grafting density, chain length, etc.…”