Effective end-of-life technologies are needed for remediation of PFAS-containing byproducts
and wastewater effluent streams. We describe a continuous flow supercritical water …

Molecular simulation has become increasingly common as a means to study properties of
pure supercritical fluids (SCFs) as well as their solutions. With the large number of studies …

Morphological patterns and structural features play crucial roles in the physical properties of
functional materials. In this paper, the mechanical properties of grafold, an architecture of …

Fullerene C 60 sub-colloidal particle with diameter∼ 1 nm represents a boundary case
between small and large hydrophobic solutes on the length scale of hydrophobic hydration …

Development of efficient electrodes is one of the main ways to increase the performance of
an electrochemical energy storage device. It is known that such performance is associated …

Light fullerenes attract significant interest in pharmacy and medicine as drug vectors and
antioxidants and to block AIDS virus enzyme. The progress of these applications is hindered …

Over 150 solvents have been probed to dissolve light fullerenes, but with a quite moderate
success. We uncover unusual mutual polarizability of C 60 fullerene and selected room …

The notion of (static) solvation shells has recently proved fruitful in revealing key molecular
factors that dictate the solubility and aggregation properties of fullerene species in polar or …

Structural and energetic aspects of solvation of fullerene C60 in ionic liquids at room
temperature were analyzed by using atomistic molecular dynamics simulations …

We employ molecular dynamics (MD) simulations to assess the electrical behavior of the
atomic charges of a fullerene immersed in an ionic liquid (and water). From solute-solvent …