6 citations · 7 across the 5 of their papers we have counts for
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Thermal decomposition of hydrated graphite oxide: A computational study
Andrii Kyrylchuk, Pranav Surabhi, David Tománek
We study the behavior of hydrated graphite oxide (GO) at high temperatures using thermally accelerated molecular dynamics simulations based on ab initio density functional theory.…
Flow of Polar and Nonpolar Liquids through Nanotubes: A Computational Study
Andrii Kyrylchuk, David Tománek
We perform ab initio density functional calculations to study the flow of water, methanol and dimethyl ether through nanotubes of carbon and boron nitride with different diameters…
Low-symmetry two-dimensional BNP and CSiS structures with high and anisotropic carrier mobilities
Shixin Song, Jie Guan, David Tománek
We study the stability and electronic structure of previously unexplored two-dimensional (2D) ternary compounds BNP and CSiS. Using density functional theory,…
Liquid Flow through Defective Layered Membranes: A Phenomenological Description
Alexander Quandt, Andrii Kyrylchuk, Gotthard Seifert +1
We present a realistic phenomenological description of liquid transport through defective, layered membranes. We derive general expressions based on conventional models of laminar…
Designing an All-Carbon Membrane for Water Desalination
David Tománek, Andrii Kyrylchuk
We design an all-carbon membrane for the filtration and desalination of water. A unique layered assembly of carbon nanostructures including graphite oxide (GO), buckypaper consisti…