Hydrogen storage capacity of Li-decorated borophene and pristine graphene slit pores: A combined ab initio and quantum-thermodynamic study
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.150019
Abstract: Among the two-dimensional materials of the post-graphene era, borophene has raised an enormous interest due to its unprecedented diversity of structures and the wide variety of potential applications, including its ability for hydrogen storage. In… read more here.
Keywords: hydrogen storage; slit pores; storage; storage capacity ... See more keywords
Quantum effect on adsorption of fluids in slit pores: A DFT study
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2019.112262
Abstract: Abstract In this paper, the Wigner-Kirkwood quantum theory and the Weeks-Chandler-Andersen (WCA) effective diameter method in Classical DFT are employed to account for the effects of quantum corrections on the Helmholtz free energy of bulk… read more here.
Keywords: effect; slit pores; quantum effect; adsorption fluids ... See more keywords
Direct visualization and molecular simulation of dewpoint pressure of a confined fluid in sub-10 nm slit pores
Sign Up to like & getrecommendations! Published in 2019 at "Fuel"
DOI: 10.1016/j.fuel.2018.08.050
Abstract: Abstract The fluid phase behavior characterization at nanoscale is a challenging and significant problem for many processes such as polymer analysis, drug delivery, carbon dioxide storage, and petroleum production, among others. It is commonly accepted… read more here.
Keywords: slit pores; sub; molecular simulation; pressure ... See more keywords
Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores.
Sign Up to like & getrecommendations! Published in 2021 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.0c01292
Abstract: In this Focus Review, we put the spotlight on very recent insights into the fascinating world of wet chemistry in the realm offered by nanoconfinement of water in mechanically rather rigid and chemically inert planar… read more here.
Keywords: confinement controlled; slit; water; chemistry ... See more keywords