Beyond Rattling: Tetrahedrites as Incipient Ionic Conductors
In tetrahedrite, copper ions are mobile at temperatures of 200 K or above, but confined to cages within the crystal structure. The localized diffusional jumps of the copper ions within a confined octahedral environment are effective at suppressing thermal conduction. This work reveals that tetrahedrite behaves as an incipient ionic conductor.
Shriparna Mukherjee+5 more
wiley +1 more source
Effect of Intracrystalline Silanol Defects on the Diffusivity of Benzene in Silicalite Zeolite
Abstract Intracrystalline zeolite silanol defect groups (≡SiOH) were modelled in silicalite (silica ZSM‐5, MFI) using experimental data. We make a molecular dynamics study on the self‐diffusivity of benzene in silicalite with defects. The simulations at three different loadings (1, 3 and 5 benzene per unit cell) and temperatures (298, 348 and 398 K ...
Alechania Misturini+4 more
wiley +1 more source
Probing Water Diffusion Inside Crystals of AlPO‐5 by PFG NMR and IRM for Heat Storage Applications
The combination of pulsed field gradient NMR and infrared microimaging enables the quantification of water diffusion inside channels of ALPO‐5 aluminophosphate on an industry‐relevant length scale for a rational design of heat exchangers utilizing the principle of molecular sorption and nanoporous materials.
Muslim Dvoyashkin+5 more
wiley +1 more source
Recent Developments in Kramers’ Theory of Reaction Rates
Illustration of Kramers’ turnover theory for surface diffusion. Escape rate is plotted as a function of the scaled friction for a cosine potential simulating the one‐dimensional motion of Na atoms on a Cu(001) lattice at surface temperature T=110 K.
Eli Pollak, Salvador Miret‐Artés
wiley +1 more source
Concentration‐dependent diffusion of unlabeled protein within an in vitro hyaluronic acid matrix
Representative diffusion experiment (n = 3 injections, 20 μL) for bovine serum albumin at 60 min. Abstract Diffusion and movement of subcutaneously injected biologics and high‐concentration immunoglobulin G (IgG) therapeutics away from the injection site and through the subcutaneous (SC) tissue may be concentration dependent.
Antonio C. F. dos Santos+7 more
wiley +1 more source
Unexpected phase locking of magnetic fluctuations in the multi-k magnet USb [PDF]
The spin waves in the multi-k antiferromagnet USb soften and become quasielastic well below the antiferromagnetic ordering temperature TN. This occurs without a magnetic or structural transition.
Blackburn, E.+6 more
core +2 more sources
Role of Magnetic Defects in Tuning Ground States of Magnetic Topological Insulators
Inelastic neutron scattering measurements reveal the formation of linear Mn–Te–Mn antiferromagnetic dimers in Mn‐doped Sb2Te3, following the Goodenough–Kanamori superexchange rule. Although the system is magnetically dilute, the experiments identify ferromagnetic dimers and correlations in the interblock across the van der Waals gap. These interactions
Farhan Islam+9 more
wiley +1 more source
Neutron scattering study of the magnetic phase diagram of underdoped YBa(2)Cu(3)O(6+x) [PDF]
We present a neutron triple-axis and resonant spin-echo spectroscopy study of the spin correlations in untwinned YBCO crystals with x= 0.3, 0.35, and 0.45 as a function of temperature and magnetic field.
A Ivanov+16 more
core +4 more sources
Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins [PDF]
We present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions.
arxiv +1 more source
How sensitive are protein hydration shells to electrolyte concentration and protein composition? [PDF]
Abstract Proteins of obligate halophilic organisms have an unusually high number of acidic amino acids, thought to enable them to function in multimolar KCl environments. Clarifying the molecular scale mechanisms by which this occurs is relevant for biotechnology, to enable enzymatic synthesis of economically important small molecules in salty ...
Geraili Daronkola H+6 more
europepmc +2 more sources