Category archives: DIPC

Synergistic effects of electrostatic bonds in a self-assembled molecule

Synergistic effects of electrostatic bonds in a self-assembled molecule

ChemistryDIPC Electronic PropertiesDIPC Interfaces

By DIPC

One feature of supramolecular chemistry is that of self-assembly, in which the structure forms spontaneously as a consequence of the nature of the molecules. Weak non-covalent bonds are fundamental for designing self-assembled organic structures with potentially high responsiveness to mechanical, light, and thermal stimuli. The contributions of multiple weak interactions control the ability of the […]

Controlling the magnetic anisotropy of a transition metal complex

Controlling the magnetic anisotropy of a transition metal complex

DIPC Electronic PropertiesNanotechnology

By DIPC

As candidates for high-density data storage and quantum computation, magnetic transition metal complexes have attracted extensive attention. It has been established that the atomic surroundings of the magnetic ions play a significant role and govern the magnetism of these magnetic complexes. One feature in particular, magnetic anisotropy, which describes the preferential orientation of the magnetic […]

Mermin–Wagner theorem for practical length scales

Mermin–Wagner theorem for practical length scales

DIPC Advanced materialsMaterials

By DIPC

Mermin–Wagner The demand for computational power is increasing exponentially, following the amount of data generated across different devices, applications and cloud platforms. To keep up with this trend, smaller and increasingly energy-efficient devices must be developed, which require the study of compounds not yet explored in data-storage technologies. The discovery of magnetically stable 2D van […]

Engineering quantum states and electronic landscapes

Engineering quantum states and electronic landscapes

Condensed matterDIPC InterfacesMaterialsQuantum physics

By DIPC

Surfaces are at the frontier of every solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Intimately related to two-dimensional materials, interfaces and atomically thin films often feature distinct electronic states with respect to the bulk, which is key to many relevant properties, such as catalytic activity, interfacial charge-transfer, and crystal […]

Dynamical nonlinear optical responses of organic materials

Dynamical nonlinear optical responses of organic materials

ChemistryDIPC Computational and Theoretical ChemistryMaterials

By DIPC

Nonlinear optics is concerned with the optical properties of matter subjected to intense electromagnetic fields. For nonlinearity to manifest itself, the external field should not be negligible compared to the internal fields of atoms and molecules of which the matter consists. Lasers are capable of generating external fields sufficiently intense for nonlinearity to occur. Actually […]

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 […]