153 citations · 504 across the 15 of their papers we have counts for
3 papers · 1 filter
Properties of the water to boron nitride interaction: from zero to two dimensions with benchmark accuracy
Yasmine S. Al-Hamdani, Mariana Rossi, Dario Alfè +8
Molecular adsorption on surfaces plays an important part in catalysis, corrosion, desalination, and various other processes that are relevant to industry and in nature. As a comple…
Exploring water adsorption on isoelectronically doped graphene using alchemical derivatives
Yasmine S. Al-Hamdani, Angelos Michaelides, O. Anatole von Lilienfeld
The design and production of novel 2-dimensional materials has seen great progress in the last decade, prompting further exploration of the chemistry of such materials. Doping and…
How strongly do hydrogen and water molecules stick to carbon nanomaterials?
Yasmine S. Al-Hamdani, Dario Alfè, Angelos Michaelides
The interaction strength of molecular hydrogen and water to carbon nanomaterials is relevant to, among many applications, hydrogen storage, water treatment, and water flow. However…