In this paper, we report on a new dielectric, a C60-containing block polyimide (PI-b-C60). This was realized by introducing C60 as pendent groups into a polymer backbone. When …
Two-dimensional carbon materials, such as graphene and graphyne, have been very relevant in the context of energy storage applications. Such materials have unique physical …
Atomistic molecular dynamics simulations were used to investigate the properties of electrolytes based on aqueous mixtures of the biodegradable ionic liquid [Ch][Gly] with the …
Carbon materials have widely been used to enhance the performance of a plethora of supercapacitor electrode materials. In this regard, it is crucial to identify carbon materials that …
Electric double-layer capacitors store energy because of the adsorption of ions on the surface of electrodes. A realistic model to describe the electrolyte–electrode interface is …
In this article, we employed concepts from Density Functional Theory to investigate the interaction energy behavior between the fragments of two‐dimensional systems composed …
We investigated the structural, dynamic, energetic, and electrostatic properties of electrolytes based on the ion pairs LiCl and Li2SO4. Atomistic molecular dynamics simulations were …
YF Yang, LS Cederbaum - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
The low-lying electronic states of neutral X@ C60 (X= Li, Na, K, Rb) have been computed and analyzed by employing state-of-the-art high level many-electron methods. Apart from …
In this work, for the first time, the effects of Titanium (Ti) doping concentration on the quantum capacitance of Ti-doped graphene electrode is theoretically investigated by combining the …