642 citations · 1.9k across the 26 of their papers we have counts for
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Both Inter- and Intramolecular Coupling of O-H Groups Determine the Vibrational Response of the Water/Air Interface
Jan Schaefer, Ellen H. G. Backus, Yuki Nagata +1
Vibrational coupling is relevant not only for dissipation of excess energy after chemical reactions but also for elucidating molecular structure and dynamics. It is particularly im…
Water orientation and hydrogen-bond structure at the fluorite/water interface
Rémi Khatib, Ellen H. G. Backus, Mischa Bonn +3
Water in contact with mineral interfaces is important for a variety of different processes. Here, we present a combined theoretical-experimental study which provides a quantitative…
Probing the Charge Separation Process on In2S3/Pt-TiO2 Nanocomposites for Boosted Visible-light Photocatalytic Hydrogen Production
Fenglong Wang, Zuanming Jin, Yijiao Jiang +5
A simple refluxing wet-chemical approach is employed for fabricating In2S3/Pt-TiO2 heterogeneous catalysts for hydrogen generation under visible light irradiation. When the mass ra…
Surface Tension of Ab Initio Liquid Water at the Water-Air Interface
Yuki Nagata, Tatsuhiko Ohto, Mischa Bonn +1
We report calculations of the surface tension of the water-air interface using ab initio molecular dynamics (AIMD) simulations. We investigate the simulation cell size dependence o…