33 citations · 58 across the 7 of their papers we have counts for
7 papers
Adsorption of Water on Pristine Graphene: A van der Waals Density Functional Study with the vdW-C09 Approach
Aline Oliveira Santos, Bruno H. S. Mendonça, Elizane E. de Moraes
Understanding how water interacts with graphene at the molecular level is essential for advancing nanomaterial applications in filtration, catalysis, and environmental technologies…
Influence of carbon nanocone structure on ultra-efficient water flow
Bruno H. S. Mendonça, Elizane E. de Moraes, João P. K. Abal +3
In this study, using nonequilibrium molecular dynamics simulation, the water flow in carbon nanocones is studied using the TIP4P/2005 rigid water model. The results demonstrate a n…
Dipole Alignment and Layered Flow Structure in Pressure-Driven Water Transport through MoS Membranes
João Victor Lemos Vale, Lucas Cesena, Bruno H. S. Mendonça +1
Efficient water transport through nanostructure membranes is essential for advancing filtration and desalination technologies. In this study, we investigate the flow of water throu…
Flow through deformed carbon nanotubes predicted by rigid and flexible water models
Bruno H. S. Mendonça, Elizane E. de Moraes, Alexsandro Kirch +4
In this study, using non-equilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005 and SPC/FH. The result…
Water diffusion in carbon nanotubes for rigid and flexible models
Bruno H. S. Mendonça, Elizane E. de Moraes, Ronaldo J. C. Batista +3
We compared the diffusion of water confined in armchair and zigzag carbon nanotubes for rigid and flexible water models. Using one rigid model, TIP4P/2005, and two flexible models,…
Water diffusion in carbon nanotubes: interplay between confinement, surface deformation and temperature
Bruno H. S. Mendonça, Patricia Ternes, Evy Salcedo +2
In this article we investigate through molecular dynamics simulations the diffusion behavior of the TIP4P/2005 water when confined in pristine and deformed carbon nanotubes (armcha…
Water diffusion in rough carbon nanotubes
Bruno H. S. Mendonça, Patricia Ternes, Evy Salcedo +2
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of h…