相关论文: Host-guest co-amorphous structure revealed by the …
We investigate the structure of a dilute mixture of amphiphilic dimers and spherical particles, a model relevant to the problem of encapsulating globular "guest" molecules in a dispersion. Dimers and spheres are taken to be hard particles,…
The boson peak (BP) stands as a key feature in understanding glasses and amorphous materials. It directly underlies their anomalous material properties, including thermal behaviors such as excess specific heat and low thermal conductivity,…
We propose a simple phenomenological model describing vibrational dynamics in a class of materials (like clathrates), which are crystalline compounds with closed cavities in their structures. In the spirit of a minimalist approach, our…
We develop an analytical model to describe the phonon dispersion relations of host-guest lattices with heavy guest atoms (rattlers). Crucially, the model also accounts for phonon damping arising from anharmonicity. The spectrum of low…
We provide a general thermodynamic framework for the understanding of guest-induced structural transitions in hybrid organic-inorganic materials. The method is based on the analysis of experimental adsorption isotherms. It allows the…
There is rising interest on low-k dielectric materials based on porous metal-organic frameworks (MOFs) for improved electrical insulation in microelectronics. Herein, we demonstrate the concept of MOF dielectric sensor built from a single…
Between 19 and 54 GPa, potassium has a complex composite incommensurate host-guest structure which undergoes two intraphase transitions over this pressure range. The temperature dependence of these host-guest phases is further complicated…
Synchrotron powder diffraction data were measured on various gas hydrates prepared at different fugacities and recovered to low temperatures. The data extend to sin {\theta}/{\lambda} values of at least 1.01 {\AA}-1, in some cases up to…
Mechanoluminescent materials have a wide range of promising nanotechnological applications, such as photonics based sensors and smart optoelectronics. Examples of mechanoluminescent metal-organic framework (MOF) materials, however, are…
We report on the synthesis and Raman scattering characterization of composite materials based on the hostnanoporous matrices filled with nanostructured KH2PO4 (KDP) crystal. Silica (SiO2) and anodized aluminium oxide (AAO) were used as host…
The crystal structure of CO2 filled pure SiO2 LTA zeolite has been studied at high pressures and temperatures using synchrotron based x ray powder diffraction. Its structure consists of 13 CO2 guest molecules, 12 of them accommodated in the…
Metal-organic frameworks (MOFs) can provide exceptional porosity for molecular guest encapsulation useful for emergent applications in sensing, gas storage, drug delivery and optoelectronics. Central to the realisation of such applications…
Combining dielectric crystals with mesoporous solids allows a versatile design of functional nanomaterials, where the porous host provides a mechanical rigid scaffold structure and the molecular filling adds the functionalization. Here, we…
Discovery of the incommensurate structure in the element Ba under pressure 15 years ago was followed by findings of a series of similar structures in other compressed elements. Incommensurately modulated structures of the host-guest type…
Directly imaging the configurations of small molecules at the ambient temperatures will greatly promote the study of their chemical and physical properties, including the host-guest interactions of organics in porous materials during the…
The structure of the first sharp diffraction peak (FSDP) of amorphous silicon (${\it a}$-Si) near 2 Angstrom$^{-1}$ is addressed with particular emphasis on the position, intensity, and width of the diffraction curve. By studying a number…
We present a detailed first-principles investigation of the structural and polar properties of 3D hybrid perovskite, methylhydrazinium lead chloride, MHyPbCl3, as it transitions from a highly polar Phase-I (high temperature, HT) to less…
Type-I clathrate compounds have attracted a great deal of interest in connection with the search for efficient thermoelectric materials. These compounds constitute networked cages consisting of nano-scale tetrakaidecahedrons (14 hedrons)…
The structural origin of the first sharp diffraction peak (FSDP) in amorphous silica is studied by analyzing chemical and radial ordering of silicon (Si) and oxygen (O) atoms in binary amorphous networks. The study shows that the chemical…
We introduce and demonstrate the coarse-graining of static and dynamical properties of host-guest systems constituted by methane in two different microporous materials. The reference systems are mapped to occupancy-based pore-scale lattice…