Thermodynamic Analysis of Prospects for Using Aluminum- and Boron-Containing Clusters in Combined High-Energy Fuels

Toward size-dependent thermodynamics of nanoparticles from quantum chemical calculations of small atomic clusters: a case study of (B2O3)n

“…Thereby, the properties of nano-objects can be qualitatively different from those of their constituent parts (isolated atoms or the smallest structural units of the material) and from those of the condensed phase, which may be of immense significance to emerging applications of clusters and nanoparticles in catalysis, medicine, (opto-)electronics, data storage, sensing, energy conversion and storage, nanomaterials design, as well as in the fabrication of high energy density fuels. 2,[6][7][8][9]17,[20][21][22][23][24][25][26][27][28] Consequently, understanding the dependence of structural, electronic, energetic, optic, and magnetic properties of atomic clusters on the system size is of great fundamental and practical interest.…”