Author archives: DIPC

Kinetic modelling of catalysis for the Ostwald process

Kinetic modelling of catalysis for the Ostwald process

CatalysisChemistryDIPC Electronic Properties

By DIPC

A catalyst is a substance that increases the rate of a chemical reaction without itself undergoing any permanent chemical change. The study of enzymes has provided us many of the prototypical concepts of catalysis, including the idea that a catalyst lowers the barrier to reaction and thereby accelerates the approach to chemical equilibrium, without altering […]

Engineering the orbital character of the electronic structure of superconducting cuprates

Engineering the orbital character of the electronic structure of superconducting cuprates

DIPC Advanced materials

By DIPC

Yttrium barium copper oxide (YBCO) is a family of crystalline chemical compounds that display high-temperature superconductivity; it includes the first material ever discovered to become superconducting above the boiling point of liquid nitrogen (77 K) at about 93 K. This family is known as cuprates as it can be viewed as containing anionic copper complexes […]

A formidable characterization tool for one-dimensional metal−organic chains

A formidable characterization tool for one-dimensional metal−organic chains

DIPC Electronic Properties

By DIPC

One-dimensional metal−organic chains often possess a complex magnetic structure, susceptible to modification by alteration of their chemical composition. The possibility to tune their magnetic properties provides an interesting playground to explore quasi-particle interactions in low-dimensional systems. These systems have potential applications in the fabrication of nanodevices for spin sensing, spintronics, quantum computing based on the […]

The implications of ground-state correlations on the integrability of quantum many-body systems

The implications of ground-state correlations on the integrability of quantum many-body systems

DIPC Quantum SystemsQuantum physics

By DIPC

A model of a physical system that can be solved exactly and the dynamics of which are characterized by regular rather than chaotic motion is called an integrable model. Integrable models can occur in Newtonian mechanics and quantum mechanics, with the harmonic oscillator being an example of such a model in both cases. Integrability has […]

Are inorganic nanothreads possible? The case for borazine-based ones

Are inorganic nanothreads possible? The case for borazine-based ones

ChemistryDIPC Computational and Theoretical Chemistry

By DIPC

Nanothreads are one-dimensional covalently bonded materials, with all “backbone” bonds saturated in the organic sense, the first of which was made from polymerization of benzene in the solid state. Nanothreads are thicker than conventional hydrocarbon polymers such as polyethylene and thinner than traditional nanowires: as ladder polymers, they are examples of the thinnest possible rigid […]

Strong chiral transport switched by small magnetic field changes

Strong chiral transport switched by small magnetic field changes

DIPC Advanced materials

By DIPC

Usually, optical activity is understood as the ability some substances have to change the handedness of polarized light when it goes through them. Molecules that show optical activity have no plane of symmetry. So-called chiral matter broadly describes structures for which left- or right-handed mirror images are non-superimposable, or, equivalently, that lack improper rotation axes […]

Metal substrates in catalytic reactions

Metal substrates in catalytic reactions

CatalysisChemistryDIPC BiochemistryDIPC Photochemistry

By DIPC

When we consider the concepts metal and catalysis, we tend to assume quite matter-of-factly that the metal will be the catalyst. This assumption is based on the fact that metals can be found in reactions where they act as catalysts or co-catalysts in the form of coordination and organometallic compounds, nano-sized or bulk materials and […]