Theory and simulations of ionic liquids in nanoconfinement
Room-temperature ionic liquids (RTILs) have exciting properties such as nonvolatility, large
electrochemical windows, and remarkable variety, drawing much interest in energy storage …
electrochemical windows, and remarkable variety, drawing much interest in energy storage …
Understanding electrochemical capacitors with in-situ techniques
Understanding the charge (energy) storage process in electrochemical capacitors (ECs) is
crucial for continuous performance enhancement of the billion-dollar charge storage …
crucial for continuous performance enhancement of the billion-dollar charge storage …
First-principles study of alkali-metal intercalation in disordered carbon anode materials
Graphite and non-graphitising (“hard”) carbons are important anode materials for battery
technologies. The electrochemical intercalation of alkali metals in graphite has been widely …
technologies. The electrochemical intercalation of alkali metals in graphite has been widely …
Recent progress in carbon-based nanoarchitectures for advanced supercapacitors
Supercapacitors, possessing high power densities, have been supposed to be one of the
promising energy storage devices. Among various electrode materials of supercapacitors …
promising energy storage devices. Among various electrode materials of supercapacitors …
Towards an atomistic understanding of disordered carbon electrode materials
Disordered nanoporous and “hard” carbons are widely used in batteries and
supercapacitors, but their atomic structures are poorly determined. Here, we combine …
supercapacitors, but their atomic structures are poorly determined. Here, we combine …
Design of supercapacitor electrodes using molecular dynamics simulations
Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy
storage and have attracted strong interest due to their outstanding properties. Rational …
storage and have attracted strong interest due to their outstanding properties. Rational …
Origin of enhanced performance in nanoporous electrical double layer capacitors: insights on micropore structure and electrolyte composition from molecular …
B Uralcan, IB Uralcan - ACS Applied Materials & Interfaces, 2022 - ACS Publications
We explore the effect of solvation and micropore structure on the energy storage
performance of electrical double layer capacitors using constant potential molecular …
performance of electrical double layer capacitors using constant potential molecular …
Formation and topological structure of three-dimensional disordered graphene networks
Disordered graphene networks (DGNs) can be regarded as the three-dimensional (3D)
assembly of graphene-like fragments at the nanoscale, in which some intrinsic topological …
assembly of graphene-like fragments at the nanoscale, in which some intrinsic topological …
Carbide-derived carbons for dense and tunable 3D graphene networks
The mechanical properties of carbide-derived carbons (CDCs) are computed using
molecular dynamics simulations, spanning the experimental density range and synthesis …
molecular dynamics simulations, spanning the experimental density range and synthesis …
An atomistic carbide-derived carbon model generated using reaxff-based quenched molecular dynamics
We report a novel atomistic model of carbide-derived carbons (CDCs), which are
nanoporous carbons with high specific surface areas, synthesis-dependent degrees of …
nanoporous carbons with high specific surface areas, synthesis-dependent degrees of …