Single atom catalysis (SAC) is a recent discipline of heterogeneous catalysis for which a
single atom on a surface is able to carry out various catalytic reactions. A kind of revolution …

Resonant (elastic) soft x-ray scattering (RSXS) offers a unique element, site and valence
specific probe to study spatial modulations of charge, spin and orbital degrees of freedom in …

The electron-phonon coupling and the corresponding energy exchange are investigated
experimentally and by ab initio theory in nonequilibrium states of the free-electron metal …

Building a foundation with a thorough description of crystalline structures, Solid State
Chemistry: An Introduction, Fourth Edition presents a wide range of the synthetic and …

The modern electron microscope, as a result of recent revolutionary developments and
many evolutionary ones, now yields a wealth of quantitative knowledge pertaining to …

Anharmonicity and local disorder (polymorphism) are ubiquitous in perovskite physics,
inducing various phenomena observed in scattering and spectroscopy experiments. Several …

Singlet exciton fission (SEF) is a key process for develo** efficient optoelectronic devices.
An aspect rarely probed directly, yet with tremendous impact on SEF properties, is the …

Based on ab initio molecular dynamics simulations, we investigated the structural, electronic
and vibrational properties of cubic and amorphous Ge 2 Sb 2 Te 5 (GST) phase change …

We computed the Raman spectrum of amorphous GeTe by ab initio simulations and
empirical bond polarizability models. The calculated spectrum is in very good agreement …

Density functional theory models developed over the past decade provide unique
information about the structure of nanoscale defects produced by irradiation and about the …