Author archives: DIPC

Magnetism in graphene nanoribbons induced by a pair of boron atoms

Magnetism in graphene nanoribbons induced by a pair of boron atoms

Condensed matterDIPC Electronic PropertiesMaterials

By DIPC

Graphene nanoribbons (GNRs), are strips of graphene with ultra-thin width (<50 nm). Graphene ribbons, introduced as a theoretical model by Mitsutaka Fujita and coauthors to examine the edge and nanoscale size effect in graphene, have emerged as a promising material for nano electronics, as they combine many of the extraordinary properties of graphene with a […]

Remarkable enantiospecific response in Cross-Polarization Solid-State NMR experiments

Remarkable enantiospecific response in Cross-Polarization Solid-State NMR experiments

DIPC Computational and Theoretical Chemistry

By DIPC

If a nucleus has a non-zero spin, it behaves as a small magnet. Therefore, in an external magnetic field, the nuclear magnetic moment vector precesses about the field direction but only certain orientations are allowed by quantum rules. Thus, for hydrogen (spin 1/2) there are two possible states in the presence of a field, each […]

Desorption as a first-order phase transition

Desorption as a first-order phase transition

ChemistryCondensed matterDIPC PolymersPhysics

By DIPC

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 a single layer of molecules, atoms or ions is attached to the adsorbent surface by chemical bonds; in physisorption only van der Waals forces are involved. Adsorption […]

Magnetic Topological Quantum Chemistry, <i>ab initio</i> calculations included

Magnetic Topological Quantum Chemistry, ab initio calculations included

Condensed matterDIPC Advanced materialsMaterialsQuantum physics

By DIPC

Topological materials have special universal properties, which are protected against perturbations. Such properties are theoretically described by topology, a branch of mathematics concerned with the properties of geometrical objects that are unchanged by continuous deformations. Topological materials behave like an ordinary insulator in the bulk but have conducting states on their boundaries, i.e., edges or […]

An intriguing link between Kerker conditions and energy conservation from fundamental principles

An intriguing link between Kerker conditions and energy conservation from fundamental principles

Condensed matterMaterials

By DIPC

A nanoantenna with balanced electric and magnetic dipole moments exhibits a directive radiation pattern with zero backscattering. This is known as the first Kerker condition after Kerker, Wang, and Giles, who predicted in 1983 that, under plane wave illumination, magnetic spheres with equal relative permittivity and permeability radiate no light in the backscattering direction. They […]

The critical role of single atoms on the electronic properties of a metal organic network

The critical role of single atoms on the electronic properties of a metal organic network

ChemistryDIPC Electronic PropertiesDIPC InterfacesMaterials

By DIPC

Organic-based materials have gained rising interest as active components in electronics, energy conversion and catalytic systems. However, the discrete nature of the molecular constituents of these systems implies a reduced electron conductance, lowering the device efficiency. In order to increase the electron delocalization through an improved structural order, which favors orbital overlap and consequently the […]

Labeling anticancer gold complexes to study their organ accumulation in vivo

Labeling anticancer gold complexes to study their organ accumulation in vivo

ChemistryDIPC PhotochemistryPharmacy

By DIPC

Auranofin is a gold (Au) salt classified by the World Health Organization as an antirheumatic agent. It was approved for the treatment of rheumatoid arthritis in 1985, but is no longer a first-line treatment due to its adverse effects on a long-term basis. But the drug is important in another way. The discovery that auranofin […]

Universal speed limits in thermodynamics away from equilibrium

Universal speed limits in thermodynamics away from equilibrium

DIPC Quantum SystemsPhysicsTheoretical physics

By DIPC

Many problems in science and engineering involve understanding how quickly a physical system transitions between distinguishable states and the energetic costs of advancing at a given speed. While theories such as thermodynamics and quantum mechanics put fundamental bounds on the dynamical evolution of physical systems, the form and function of the bounds differ. Rudolf Clausius’s […]

Simultaneous ignition of the CO oxidation on a curved platinum surface

Simultaneous ignition of the CO oxidation on a curved platinum surface

ChemistryDIPC Electronic PropertiesDIPC Interfaces

By DIPC

Carbon monoxide (CO) oxidation (2CO + O2 → CO2) on platinum (Pt) group metal surfaces is the model heterogeneous gas/surface catalytic reaction. Pt itself is of the upmost importance as a catalyst for car exhaust cleaning or for the water gas shift reaction, whereas Pt crystal surfaces are model systems for investigating the catalytic CO […]