Category archives: CFM

Topology of disconnected elementary band representations

Topology of disconnected elementary band representations

Condensed matterMaterialsPhysicsQuantum physicsTheoretical physics

By DIPC

The revolutionary theory of topological quantum chemistry , a description of the universal global properties of all possible band structures and materials, diagnoses topological phases based on elementary band representations. A set of bands is topological if it lacks an “atomic limit” that obeys the crystal symmetry (and time reversal, if desired): formally, an atomic […]

Surface-Enhanced Molecular Electron Energy Loss Spectroscopy

Surface-Enhanced Molecular Electron Energy Loss Spectroscopy

Condensed matterMaterialsNanotechnologyPhysicsQuantum physicsTheoretical physics

By DIPC

Chemists have a range of different spectroscopic techniques to study organic molecules. All of these techniques are based on spectra generated by a range of electronic transitions and vibrations, key excitations in matter, the study of which provides information about characteristics of materials and, therefore, allow their identification. In this context, one of those spectroscopic […]

The microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces

The microscopic mechanism behind the vibrational relaxation of adsorbates on metal surfaces

Condensed matterMaterialsNanotechnologyPhysicsTheoretical physics

By DIPC

Most of the theories describing dynamical processes at surfaces rely on the validity of the adiabatic Born-Oppenheimer approximation. What does this mean? We have already seen that adsorption commonly is understood as the reversible binding of molecules and atoms from the gaseous or liquid phase on surfaces, mostly of highly porous adsorbent media. In chemisorption […]

Beyond the point-dipole approximation

Beyond the point-dipole approximation

Condensed matterMaterialsQuantum physicsTheoretical physics

By DIPC

The wave nature of light expresses itself in the propagation all over space, showing an intrinsic limitation to be localized beyond the so-called diffraction limit which is of the order of half the wavelength of the photons propagating. However when interacting with matter, light often gets reflected, diffracted, scattered or absorbed depending on the interactions […]

The forgotten fraction in semicrystalline semiconducting polymers

The forgotten fraction in semicrystalline semiconducting polymers

ChemistryCondensed matterMaterials

By DIPC

A class of materials of utmost fundamental and applied interest is that of semicrystalline polymers. Actually, all solid synthetic polymers are, in general, partly crystalline and partly amorphous. The degree of crystallinity depends on the polymer structure and on how the solid is prepared. Rapid cooling of the molten polymer favors formation of an amorphous […]

Temperature dependence of rare earth valence has nothing to do with Kondo temperature

Temperature dependence of rare earth valence has nothing to do with Kondo temperature

ChemistryCondensed matterQuantum physics

By DIPC

The scattering of conduction electrons in metals owing to impurities with magnetic moments is known as the Kondo effect, after Jun Kondo, who analysed the phenomenon in 1964. This scattering increases the electrical resistance and has the consequence that, in contrast to ordinary metals, the resistance reaches a minimum as the temperature is lowered and […]

The multiscale nature of picocavities: a classical view to a quantum effect

The multiscale nature of picocavities: a classical view to a quantum effect

CFMDIPC

By DIPC

Progress in nanotechnology has allowed controlling the morphology of metallic nanoparticles at the nanometer and even subnanometer scale, triggering the development of various applications in plasmonics and nanooptics, such as in enhanced vibrational spectroscopy, improvement of energy absorption of solar cells, optoelectronic circuits, quantum optics, nanosensing of biomolecules, or noninvasive thermotherapy in medicine. Most of […]

Spin control using chemical design

Spin control using chemical design

ChemistryCondensed matterMaterialsNanotechnology

By DIPC

During the last decades, the electronics industry has been very successful in pushing forward the advancement of electronic building blocks, but the limit of silicon-based electronic devices especially in terms of miniaturization are almost reached. There are many ideas how to overcome this problem, for example, by adding functionality based on approaches originating from molecular […]

Accurate simulation of aqueous-based electrochemical setups

Accurate simulation of aqueous-based electrochemical setups

ChemistryCondensed matterEnergyMaterialsPhysicsQuantum physics

By DIPC

Following the need for new and renewable sources of energy worldwide, fuel cells using electrocatalysts can be thought of as viable options. Catalyst materials modify and increase the rate of chemical reactions without itself undergoing any permanent change. An electrocatalyst is a catalyst that participates in electrochemical reactions and that functions at electrode surfaces or […]