The CL &Pol polarizable force field for the simulation of ionic liquids and eutectic solvents

K Goloviznina, Z Gong… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
Molecular dynamics (MD) simulation, and theoretical chemistry in general, have been
central tools in the study of ionic liquids (ILs) and eutectic solvents, both of which are fluid …

Molecular dynamics simulations of electrochemical interfaces

L Zeng, J Peng, J Zhang, X Tan, X Ji, S Li… - The Journal of Chemical …, 2023 - pubs.aip.org
Molecular dynamics (MD) simulations have become a powerful tool for investigating
electrical double layers (EDLs), which play a crucial role in various electrochemical devices …

Porous g‐C3N4 and MXene Dual‐Confined FeOOH Quantum Dots for Superior Energy Storage in an Ionic Liquid

M Shi, P Xiao, J Lang, C Yan, X Yan - Advanced Science, 2020 - Wiley Online Library
Owing to their unique nanosize effect and surface effect, pseudocapacitive quantum dots
(QDs) hold considerable potential for high‐efficiency supercapacitors (SCs). However, their …

Tuning threshold voltage of electrolyte-gated transistors by binary ion doping

KG Cho, KH Seol, MS Kim, K Hong… - ACS applied materials & …, 2022 - ACS Publications
Electrolyte-gated transistors (EGTs) operating at low voltages have attracted significant
attention in widespread applications, including neuromorphic devices, nonvolatile …

Development of Heteroatomic Constant Potential Method with Application to MXene-Based Supercapacitors

X Lin, SR Tee, PRC Kent, DJ Searles… - Journal of Chemical …, 2024 - ACS Publications
We describe a method for modeling constant-potential charges in heteroatomic electrodes,
keeping pace with the increasing complexity of electrode composition and nanostructure in …

Toward electrochemical studies on the nanometer and atomic scales: Progress, challenges, and opportunities

SV Kalinin, O Dyck, N Balke, S Neumayer, WY Tsai… - ACS …, 2019 - ACS Publications
Electrochemical reactions and ionic transport underpin the operation of a broad range of
devices and applications, from energy storage and conversion to information technologies …

“Thermal dissolution carbon enrichment” treatment of biomass wastes: Supercapacitor electrode preparation using the residue

Z Hu, X Li, Z Tu, Y Wang, OD Dacres, Y Sun… - Fuel processing …, 2020 - Elsevier
Abstract “Thermal dissolution carbon enrichment” method proposed in our previous work
has been proved to effectively separate biomass wastes into carbon-rich target products (the …

Present status of electric-double-layer thin-film transistors and their applications

W Cai, J Wilson, A Song - Flexible and Printed Electronics, 2021 - iopscience.iop.org
As thin-film transistors (TFTs) are the workhorse of thin-film electronics, a great deal of focus
has been placed upon improving their performance. One major avenue of investigation is …

Effect of side chain modifications in imidazolium ionic liquids on the properties of the electrical double layer at a molybdenum disulfide electrode

Z Gong, AAH Padua - The Journal of Chemical Physics, 2021 - pubs.aip.org
Knowledge of how the molecular structures of ionic liquids (ILs) affect their properties at
electrified interfaces is key to the rational design of ILs for electric applications. Polarizable …

Enabling magnesium anodes by tuning the electrode/electrolyte interfacial structure

X Wen, Z Yu, Y Zhao, J Zhang, R Qiao… - … Applied Materials & …, 2021 - ACS Publications
A new deposition mechanism is presented in this study to achieve highly reversible plating
and stripping of magnesium (Mg) anodes for Mg-ion batteries. It is known that the reduction …