2 papers
cond-mat.soft2021
Molecular Dynamics Simulations of Water Anchored in Multi-Layered Nanoporous MoS Membranes: Implications for Desalination
João P. K. Abal, Rodrigo F. Dillenburg, Mateus H. Köhler +1
One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecu…
cond-mat.soft2018
2D nanoporous membrane for cation removal from water: effects of ionic valence, membrane hydrophobicity and pore size
Mateus Henrique Köhler, José Rafael Bordin, Marcia C. Barbosa
Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS) and graphene can effectively reject ions and allow high water permeability. Solutio…