Nanoporous MoS Membrane for Water Desalination: A Molecular Dynamics Study.

Molybdenum disulfide (MoS), a two-dimensional (2D) material, promises better desalination efficiency, benefiting from the small diffusion length. While the monolayer nanoporous MoS membrane has great potential in the reverse osmosis (RO) desalination membrane, multilayer MoS membranes are more feasible to synthesize and economical than the monolayer MoS membrane. Building on the monolayer MoS membrane knowledge, the effects of the multilayer MoS membrane in water desalination were explored, and the results showed that increasing the pore size from 3 to 6 Å resulted in higher permeability but with lower salt rejection.

About the Implementation of Frequency Conversion Processes in Solar Cell Device Simulations.

Solar cells are electrical devices that can directly convert sunlight into electricity. While solar cells are a mature technology, their efficiencies are still far below the theoretical limit. The major losses in a typical semiconductor solar cell are due to the thermalization of electrons in the UV and visible range of the solar spectrum, the inability of a solar cell to absorb photons with energies below the electronic band gap, and losses due to the recombination of electrons and holes, which mainly occur at the contacts.

Ab initio potential energy surface of CH and reaction dynamics of H + CH+.

This work presents a new ground state potential energy surface (PES) for CH. The potential is tested using quasi classical trajectory (QCT) and quantum reactive scattering methods for the H + CH(+) reaction. Cross sections and rate coefficients for all reaction channels up to 300 K are calculated.

Modeling the ion transfer and polarization of ion exchange membranes in bioelectrochemical systems.

An explicit numerical model for the charge balancing ion transfer across monopolar ion exchange membranes under conditions of bioelectrochemical systems is presented. Diffusion and migration equations have been solved according to the Nernst-Planck Equation and the resulting ion concentrations, pH values and the resistance values of the membrane for different conditions were computed. The modeling results underline the principle limitations of the application of ion exchange membranes in biological fuel cells and electrolyzers, caused by the inherent occurrence of a pH-gradient between anode and cathode compartment, and an increased ohmic membrane resistance at decreasing electrolyte concentrations.