Although conceptually simple, the air-water interface displays rich behavior. Different definitions of the electrostatic potential, each relevant for distinct experimental scenarios, lead to widely varying surface potential magnitudes and even different signs. Based on quantum-chemical density-functional molecular dynamics simulations, all relevant surface potentials are evaluated and compared. The spatially averaged surface potential, accessible to electron holography, is dominated by the trace of the water molecular quadrupole moment and amounts to more than + 4 V inside the water phase, very different from results obtained with force-field water models. The surface potential inside a cavity is much smaller, less than 200 mV in magni...
The surface charge/surface potential of the air/water interface plays a key role in many natural and...
Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with...
J. Le thanks University of Aberdeen for a PhD studentship. We thank the UKCP consortium program on A...
Although conceptually simple, the air–water interface displays rich behavior and is subject to inten...
The electrochemical surface potential across the water–vapor interface provides a measure of the ori...
A problem associated with the surface potential jump at the air-water interface has been studied for...
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solutio...
An accurate prediction of the surface potential (ϕ) at the air−water interface is critical to calcul...
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solutio...
Abstract(#br)The origin of the potential difference between the potential of zero charge of a metal/...
Electrostatic .and .hydrophobic interactions of ions near interfaces are examined in relation to the...
Relative values of the surface poitential of water at metal- aqueous solution interfaces at the pote...
The surface tension of the air—water interface increases upon addition of inorganic salts, implying ...
The purpose of this paper is to show how interesting is free surface of water and how many problems ...
Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundari...
The surface charge/surface potential of the air/water interface plays a key role in many natural and...
Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with...
J. Le thanks University of Aberdeen for a PhD studentship. We thank the UKCP consortium program on A...
Although conceptually simple, the air–water interface displays rich behavior and is subject to inten...
The electrochemical surface potential across the water–vapor interface provides a measure of the ori...
A problem associated with the surface potential jump at the air-water interface has been studied for...
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solutio...
An accurate prediction of the surface potential (ϕ) at the air−water interface is critical to calcul...
The results of molecular dynamics simulations of the properties of water in an aqueous ionic solutio...
Abstract(#br)The origin of the potential difference between the potential of zero charge of a metal/...
Electrostatic .and .hydrophobic interactions of ions near interfaces are examined in relation to the...
Relative values of the surface poitential of water at metal- aqueous solution interfaces at the pote...
The surface tension of the air—water interface increases upon addition of inorganic salts, implying ...
The purpose of this paper is to show how interesting is free surface of water and how many problems ...
Improving our experimental and theoretical knowledge of electric potentials at liquid-solid boundari...
The surface charge/surface potential of the air/water interface plays a key role in many natural and...
Ice-water, water-vapor interfaces and ice surface are studied by molecular dynamics simulations with...
J. Le thanks University of Aberdeen for a PhD studentship. We thank the UKCP consortium program on A...