Sub-micrometer phonon mean free paths in metal–organic frameworks revealed by machine learning molecular dynamics simulations
Metal–organic frameworks (MOFs) are a family of materials that have high porosity and
structural tunability and hold great potential in various applications, many of which require a …
structural tunability and hold great potential in various applications, many of which require a …
Machine learned force-fields for an Ab-initio quality description of metal-organic frameworks
Metal-organic frameworks (MOFs) are an incredibly diverse group of highly porous hybrid
materials, which are interesting for a wide range of possible applications. For a meaningful …
materials, which are interesting for a wide range of possible applications. For a meaningful …
Polarization-dependent plasmonic heating in epitaxially grown multilayered metal–organic framework thin films embedded with Ag nanoparticles
The development of metal–organic framework (MOF) thin films with various functionalities
has paved the way for research into a wide variety of applications. MOF-oriented thin films …
has paved the way for research into a wide variety of applications. MOF-oriented thin films …
Lattice dynamics and heat transport in zeolitic imidazolate framework glasses
The glassy state of zeolitic imidazolate frameworks (ZIFs) has shown great potential for
energy-related applications, including solid electrolytes. However, their thermal conductivity …
energy-related applications, including solid electrolytes. However, their thermal conductivity …
Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials
The present study focuses on the spin-dependent vibrational properties of HKUST-1, a metal–
organic framework with potential applications in gas storage and separation. Employing …
organic framework with potential applications in gas storage and separation. Employing …
Heat Transfer in Nanostructured Materials
MH Lu - Nanomaterials, 2023 - mdpi.com
Thermal manipulation has garnered considerable attention for its potential applications in
diverse areas, including microelectronics, thermal logic devices, and thermoelectrics …
diverse areas, including microelectronics, thermal logic devices, and thermoelectrics …