2.3k citations · 16.8k across the 81 of their papers we have counts for
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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…
Physical Adsorption at the Nanoscale: Towards Controllable Scaling of the Substrate-Adsorbate van der Waals Interaction
Alberto Ambrosetti, Pier Luigi Silvestrelli, Alexandre Tkatchenko
The Lifshitz-Zaremba-Kohn (LZK) theory is commonly considered as the correct large-distance limit for the van der Waals (vdW) interaction of adsorbates (atoms, molecules, or nanopa…
Negative thermal expansion and metallophilicity in Cu[Co(CN)]
Adam F. Sapnik, Xiaofei Liu, Hanna L. B. Boström +5
We report the synthesis and structural characterisation of the molecular framework copper(I) hexacyanocobaltate(III), Cu[Co(CN)], which we find to be isostructural to H…