Vibrational spectra of vitreous germania from first-principles
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Connectedness and applied stress strongly affect elasticity in solids. In various amorphous materials, mechanical stability can be lost either by reducing connectedness or by increasing pressure. We present an effective medium theory of elasticity that ext ...
The dynamics and bonding of the complex hydride LiBH4 have been investigated by vibrational spectroscopy and density functional theory (DFT). The combination of infrared, Raman, and inelastic neutron-scattering (INS) spectroscopies on hydrided and deuterat ...
Interfacial molecular dynamics are key to understanding many phenomena in technology and life sciences. We demonstrate a first step toward accessing vibrational dynamics at liquid-liquid and nanoscopic (bio)-interfaces using time-resolved sum-frequency sca ...
Composites based on polydiphenylamine (PDPA) doped with heteropolyanions of H3PW12O40 and single-walled carbon nanotubes (SWNTs) were prepared by electrochemical polymerization of diphenylamine (DPA) on carbon nanotube films deposited onto Pt electrodes. H ...
Reflection and transmission as a function of temperature (7-300 K and 5-300 K respectively) have been measured on single crystals of the multiferroic compound FeTe2O5Br utilizing light spanning from the far infrared to the visible. The complex dielectric f ...
Highly efficient preparation of molecules in a specific rovibrationally excited state for gas/surface reactivity measurements is achieved in a molecular beam using tunable infrared (IR) radiation from a single mode continuous wave optical parametric oscill ...
We present an experimental study of the complete in-plane dynamics of capillary self-alignment. The two translational (shift) and single rotational (twist) in-plane modes of square millimetric transparent dies bridged to shape-matching receptor sites throu ...
Swirling jets and vortices can both be unstable to the centrifugal instability but with a different wavenumber selection: the most unstable perturbations for swirling jets in inviscid fluids have an infinite azimuthal wavenumber, whereas, for vortices, the ...
In this thesis, I describe the design and first applications of a new molecular-beam/surface-science ultra-high vacuum apparatus. The new machine combines rovibrational state-selective infrared pumping of gas-phase reactants with reflection absorption infr ...
A combined DFT/vibrational spectroscopy approach is used to determine the interactions of the 1,3-dimethylimidazolium ([Mmim]+) and 1-ethyl-3-methylimidazolium ([Emim]+) cations and [BF4]- anions with each other in the liquid state and with Pd nanoparticle ...
