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 Xie… - Proceedings of the …, 2021 - National Acad Sciences
To raise the superconducting-transition temperature (Tc) has been the driving force for the
long-sustained effort in superconductivity research. Recent progress in hydrides with Tcs up …

Flexible artificial synapse with relearning function based on ion gel-graphene FET

D Feng, Z Niu, J Yang, W Xu, S Liu, X Mao, X Li - Nano Energy, 2021 - Elsevier
Due to its high-speed parallel processing, the human brain is superior to the von Neumann
system computer in processing images, speech and perception. This paper proposes a …

Accurate and Ultrafast Simulation of Molecular Recognition and Assembly on Metal Surfaces in Four Dimensions

C Zhu, SE Hoff, M Hémadi, H Heinz - ACS nano, 2023 - ACS Publications
Understanding molecular interactions with metal surfaces in high reliability is critical for the
development of catalysts, sensors, and therapeutics. Obtaining accurate experimental data …

Angular dependence of the critical current density in FeSe0. 5Te0. 5 thin films on metal substrates

F Fan, X Zhang, C Cai, Y Ma - Superconductor Science and …, 2021 - iopscience.iop.org
Abstract Biaxially textured FeSe 0.5 Te 0.5 (FST) thin films were fabricated on ion-beam
assisted-deposition LaMnO 3 (LMO) buffered metal substrate with additional CeO 2 as a …

Refractive index of ionic liquids under electric field: Methyl propyl imidazole iodide and several derivatives

J Zhou, SK Dong, ZH He, YH Zhang - Chinese Physics B, 2020 - iopscience.iop.org
Ionic liquids have received wide attention due to their novel optoelectronic structures and
devices as an optical means of regulating electricity. However, the quantitative testing and …

[HTML][HTML] Ionic liquid gating of YBa2Cu3O7− x with a BN capping 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 …