Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclear. Here we show that nonlocal correlations contribute substantially to the water-metal bond and that this is an important factor in governing the relative stabilities of wetting layers and 3D bulk ice. Because of the greater polarizability of the substrate metal atoms, nonlocal correlations between water and the metal exceed those between water molecules within ice. This sheds light on a long-standing problem, wherein common density functional theory exchange-correlation functionals incorrectly predict that none of the low temperature experimentally characterized icelike wetting layers are thermodynamically stable
The structure and growth of water films on surfaces is reviewed, starting from single molecules to t...
A molecular-scale description of water and ice is important in fields as diverse as atmospheric chem...
The interfacial behaviour of water remains a central question to fields as diverse as protein foldin...
Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclea...
Using Lifshitz theory we assess the role of van der Waals forces at interfaces of ice and water. The...
There are few molecules, if any, more important than water. Yet remarkably little is known about how...
The interaction of water molecules with metal surfaces is typically weak and as a result van der Waa...
It is generally accepted that the metal–water interface tensions are quite high; thus, the metal sur...
Initial water deposition on the moderately reactive precious metal surface Ru(0001) has been thought...
An accurate atomistic treatment of aqueous solid–liquid interfaces necessitates the explicit descrip...
Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. H...
(H2O)10 and (H2O)12 are used to investigate the growth of ice on metal surfaces with hexagonal symme...
Water, essential for all life forms, is the most abundant, simple, yet mysterious molecule in the wo...
A molecular-scale description of water and ice is important in fields as diverse as atmospheric chem...
peer reviewedDensity-functional theory (DFT) has been widely used to study water and ice for at leas...
The structure and growth of water films on surfaces is reviewed, starting from single molecules to t...
A molecular-scale description of water and ice is important in fields as diverse as atmospheric chem...
The interfacial behaviour of water remains a central question to fields as diverse as protein foldin...
Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclea...
Using Lifshitz theory we assess the role of van der Waals forces at interfaces of ice and water. The...
There are few molecules, if any, more important than water. Yet remarkably little is known about how...
The interaction of water molecules with metal surfaces is typically weak and as a result van der Waa...
It is generally accepted that the metal–water interface tensions are quite high; thus, the metal sur...
Initial water deposition on the moderately reactive precious metal surface Ru(0001) has been thought...
An accurate atomistic treatment of aqueous solid–liquid interfaces necessitates the explicit descrip...
Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. H...
(H2O)10 and (H2O)12 are used to investigate the growth of ice on metal surfaces with hexagonal symme...
Water, essential for all life forms, is the most abundant, simple, yet mysterious molecule in the wo...
A molecular-scale description of water and ice is important in fields as diverse as atmospheric chem...
peer reviewedDensity-functional theory (DFT) has been widely used to study water and ice for at leas...
The structure and growth of water films on surfaces is reviewed, starting from single molecules to t...
A molecular-scale description of water and ice is important in fields as diverse as atmospheric chem...
The interfacial behaviour of water remains a central question to fields as diverse as protein foldin...