Van der Waals integration before and beyond two-dimensional materials
Material integration strategies, such as epitaxial growth, usually involve strong chemical
bonds and are typically limited to materials with strict structure matching and processing …
bonds and are typically limited to materials with strict structure matching and processing …
Van der Waals‐Interface‐Dominated All‐2D Electronics
X Zhang, Y Zhang, H Yu, H Zhao, Z Cao… - Advanced …, 2023 - Wiley Online Library
The interface is the device. As the feature size rapidly shrinks, silicon‐based electronic
devices are facing multiple challenges of material performance decrease and interface …
devices are facing multiple challenges of material performance decrease and interface …
Van der Waals heterostructures by design: from 1D and 2D to 3D
Heterostructures with designable electronic interfaces represent the material foundation for
modern electronic and optoelectronic devices. The conventional heterostructures rely on …
modern electronic and optoelectronic devices. The conventional heterostructures rely on …
Thermodynamic properties of argon from Monte Carlo simulations using ab initio potentials
P Ströker, R Hellmann, K Meier - Physical Review E, 2022 - APS
Ten different thermodynamic properties of the noble gas argon in the liquid and supercritical
regions were obtained from semiclassical Monte Carlo simulations in the isothermal-isobaric …
regions were obtained from semiclassical Monte Carlo simulations in the isothermal-isobaric …
Transport coefficients of argon and its mixtures with helium and neon at low density based ab initio potentials
F Sharipov, VJ Benites - Fluid Phase Equilibria, 2019 - Elsevier
The transport coefficients, such as viscosity, thermal conductivity, diffusion coefficient and
thermal diffusion factor of helium-argon and neon-argon mixtures at low density are …
thermal diffusion factor of helium-argon and neon-argon mixtures at low density are …
Further property of ionic liquids: Hildebrand solubility parameter from new molecular thermodynamic model
A molecular thermodynamic-based approach has been previously employed to correlate the
surface tension of ionic liquids (ILs). This paper aims to calculate further property of ILs, the …
surface tension of ionic liquids (ILs). This paper aims to calculate further property of ILs, the …
Many-body effects on the thermodynamics of fluids, mixtures, and nanoconfined fluids
C Desgranges, J Delhommelle - Journal of Chemical Theory and …, 2015 - ACS Publications
Using expanded Wang–Landau simulations, we show that taking into account the many-
body interactions results in sharp changes in the grand-canonical partition functions of …
body interactions results in sharp changes in the grand-canonical partition functions of …
[HTML][HTML] Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding …
C Desgranges, J Delhommelle - The Journal of Chemical Physics, 2016 - pubs.aip.org
Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations.
IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of …
IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of …
Vapor–liquid equilibrium and thermodynamic properties of saturated argon and krypton from Monte Carlo simulations using ab initio potentials
P Ströker, K Meier - The Journal of Chemical Physics, 2024 - pubs.aip.org
Vapor–liquid equilibria and thermodynamic properties of saturated argon and krypton were
calculated by semi-classical Monte Carlo simulations with the NpT+ test particle method …
calculated by semi-classical Monte Carlo simulations with the NpT+ test particle method …
Calculation of intermolecular potentials for H2H2 and H2O2 dimers ab initio and prediction of second virial coefficients
TP Van, UK Deiters - Chemical Physics, 2015 - Elsevier
The intermolecular interaction potentials of the dimers H 2 single bondH 2 and H 2 single
bondO 2 were calculated from quantum mechanics, using coupled-cluster theory CCSD (T) …
bondO 2 were calculated from quantum mechanics, using coupled-cluster theory CCSD (T) …