Adri Van Duin

Metal Organic Frameworks (MOFs) are being extensively explored for their application in the domain of catalysis. However, instability at high temperature, high pressure and polar solvents is common, limiting their application…

Hydrogels are cross-linked polymers containing water and are used in medical fields, robotics, and energy storage. Hydrogels tend to be soft materials due to their high-water content which has motivated research to find ways to tune their mechanical properties…

Hydrogels are cross-linked polymers containing water and are used in medical fields, robotics, and energy storage. Hydrogels tend to be soft materials due to their high-water content which has motivated research to find ways to tune their mechanical properties…

In less than a decade, we have witnessed significant advancement in the development of a new class of 2D materials known as MXenes, which are transition metal carbides, carbonitrides and nitrides…

Carbon nanothreads are one-dimensional sp3 polymers produced by the pressure-induced polymerization of unsaturated molecules at gigapascal (GPa) pressures…

How interactions among solutes, solvents, and confining membrane surfaces control separation performance is an intriguing question…

This work uses a computational approach to investigate the destruction mechanism of per- and polyfluoroalkyl substances (PFAS). PFAS have caused a strong public and regulatory response due to their ubiquitous presence in the environment and toxicity to humans…

Siliceous resources play a major role in CO2 conversion, mineralization, and storage which is crucial for a sustainable energy transition. For example, several gigatons of CO2 emissions can be reliably converted to solid carbonates on reaction with earth-abundant Ca- and Mg-bearing silicates…

The simulation of chemical reactions and mechanical properties up to failure from the scale of atoms to micrometers is a longstanding challenge in chemistry and materials science. Bottlenecks include computational feasibility, reliability, and cost…

Hydrogen titanates, H2Ti3O7 (HTO) are highly versatile, non-toxic and corrosion-resistant materials that have been promising for electrochemical energy storage and conversion devices…

Post-synthetic transformation introduces structural and compositional complexity to nanomaterials with minimal shape, size, and crystal structure perturbation…

A detailed understanding of the composition and polymerization mechanisms of liquid sulfur is essential in modern synthetic chemistry and emerging technologies. However, the dynamic nature of molten sulfur significantly complicates its accurate characterization…