Quasi-one-dimensional water encapsulated inside single-walled carbon nanotubes, here referred to as nanotube water, was studied by neutron scattering. The results reveal an anomalously soft dynamics characterized by pliable hydrogen bonds, anharmonic intermolecular potentials, and large-amplitude motions in nanotube water. Molecular dynamics simulations consistently describe the observed phenomena and propose the structure of nanotube water, which comprises a square-ice sheet wrapped into a cylinder inside the carbon nanotube and interior molecules in a chainlike configuration.
1 November 2010 in Journal of Physics: Conference Series
Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g−1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.
We report inelastic neutron scattering measurements of the phonon density of states in , which has a superconducting transition at 39.2 K. The acoustic phonons extend in energy to 36 meV, and there are highly dispersive optic branches peaking at 54, 78, 89, and 97 meV. A simple Born–von Kàrmàn model reproduces the mode energies, and provides an estimate of the electron-phonon coupling of . Furthermore, the estimated boron and magnesium contributions to the isotope effect are in qualitative agreement with experiment. The data confirm that a conventional phonon mechanism, with moderately strong electron-phonon coupling, can explain the observed superconductivity.
8 February 2019 in Journal of Chemical Theory and Computation