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 …

Superior carrier tuning in ultrathin superconducting materials by electric-field gating

P Liu, B Lei, X Chen, L Wang, X Wang - Nature Reviews Physics, 2022 - nature.com
Abstract Two-dimensional (2D) superconductors with excellent crystallinity down to the
monolayer have many unusual properties absent in the three-dimensional (3D) bulk, such …

Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials

K Kanhaiya, S Kim, W Im, H Heinz - npj Computational Materials, 2021 - nature.com
The earlier integration of validated Lennard–Jones (LJ) potentials for 8 fcc metals into
materials and biomolecular force fields has advanced multiple research fields, for example …

Pressure-induced high-temperature superconductivity retained without pressure in FeSe single crystals

L Deng, T Bontke, R Dahal, Y ** layer for enhanced stability and efficiency
Y Liu, Y Chen, J Liang, J Zhao, K Li, W Zhao - AIP Advances, 2023 - pubs.aip.org
In this study, we explored the impact of ionic liquid gating on YBa 2 Cu 3 O 7− x
superconductivity. We observed that direct contact of YBa 2 Cu 3 O 7− x and the ionic liquid …

Development and Application of Reliable Models for the Simulation of Metals and Oxides at the Nanoscale

K Kanhaiya - 2022 - search.proquest.com
Corrosion of metals causes billions of dollars in annual losses and atomic scale
understanding is necessary to design corrosion resistant materials. Experiments fail to …