Category archives: Chemistry

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 […]

Machine learning to understand water’s liquid phases

Machine learning to understand water’s liquid phases

ChemistryComputer scienceCondensed matterMaterialsPhysics

By César Tomé

Water has puzzled scientists for decades. For the last 30 years or so, they have theorized that when cooled down to a very low temperature like -100 ºC, water might be able to separate into two liquid phases of different densities. Like oil and water, these phases don’t mix and may help explain some of […]

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 […]

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 […]

Producing a large quantity of pure cyclic polymers

Producing a large quantity of pure cyclic polymers

ChemistryDIPC Polymers

By DIPC

Cyclic polymers present a topology that differ significantly from their linear counterparts due to their circular structure and, therefore, the lack of chain ends. These simple characteristics are responsible for important unique properties (e.g. lower intrinsic and melt viscosity, lower hydrodynamic volumes, slower degradation profiles, increased blood circulation times and more selective bioaccumulation) thanks to […]

From protein design to materials design

From protein design to materials design

ChemistryMaterials

By BCMaterials

A key feature that makes natural materials highly sustainable and recyclable is their modularity. Biodegradable materials are such because biological organisms can digest and break their constituting chemicals into simpler building blocks. Often such simpler building blocks are then reused for energy or structural purposes. In other words, nature needs materials that can be broken […]

Evolution of a 2D alloy throughout the metal to semiconductor transition

Evolution of a 2D alloy throughout the metal to semiconductor transition

ChemistryDIPC Advanced materialsMaterials

By DIPC

Transition metal dichalcogenides (TMDs) are layered compounds which can be thinned down to the single-layer limit. While mechanical exfoliation generates atomically thin TMD flakes possessing an area of a few square microns, chemical and physical methods provide high-quality monolayers on large-area substrates, which are suitable for actual technological applications. TMDs are a class of van […]

Lanthanide-lanthanide bonding as the basis of next-generation powerful permanent magnets

Lanthanide-lanthanide bonding as the basis of next-generation powerful permanent magnets

ChemistryDIPC Computational and Theoretical ChemistryMaterials

By DIPC

If we are asked what a metal is, most likely we would think almost automatically in those elements that we see as lustrous solids, good conductors of heat and electricity, that tend to form positive ions, and with a particular chemical bond that keep metal atoms in place, the metallic bond. And all of this […]