![A snapshot of liquid electrolyte structure is shown, as determined by molecular dynamics simulation (left). The Van Hove function, determined by inelastic X-ray scattering of an aqueous NaBr solution is shown (right). Correlated motions of water, cation, and anion in pico-second timescale are disentangled through the partial Van Hove functions.](/sites/default/files/styles/list_page_thumbnail/public/2020-07/Picture2_0.png?h=ff4f4b66&itok=Z0Pb_D--)
Correlated motions of water molecules and salt ions in real space and time were visualized through the Van Hove function.
Correlated motions of water molecules and salt ions in real space and time were visualized through the Van Hove function.
Selective replacement of the top atoms of an atomically thin 2D crystal to form Janus monolayers has been achieved by hyperthermal implantation of clusters generated by laser ablation.
New mechanisms for spin Hall effect are theoretically developed based on the critical ferromagnetic fluctuation of magnetic moments.
Developed a deep-learning approach to automatically create libraries of structural and electronic properties of atomic defects in 2D materials.
Pillar[5]quinone derived multi-microporous organic polymers with hydrophenazine linkages (MHP-P5Q) were synthesized via a solvent and catalyst-free mechanochemical
We show that hydrogen bonding and electrostatic interactions in the aqueous phase control the conformations of the polymers in the organic phase.
A new method based on molecular dynamics simulations and kinetic theory can predict the rate of molecules adsorbing to a surface from liquid.
In situ inelastic neutron scattering (INS) and IR spectroscopy provide the first direct evidence for the catalytic roles of cerium hydride (Ce-H) and hydroxyl group (OH) groups in acetylene hydrogenation over ceria as a function of the density
Direct experimental evidence of gas-phase methyl radicals in propane oxidative dehydrogenation (ODHP) combined with density functional theory (DFT) calculations uncovers the mechanism behind the exceptional selectivity to olefins over BN catalysts