Molecular structure and modeling of water–air and ice–air interfaces monitored by sum-frequency generation

F Tang, T Ohto, S Sun, JR Rouxel, S Imoto… - Chemical …, 2020 - ACS Publications
From a glass of water to glaciers in Antarctica, water–air and ice–air interfaces are abundant
on Earth. Molecular-level structure and dynamics at these interfaces are key for …

Photoemission from liquid aqueous solutions

B Winter, M Faubel - Chemical reviews, 2006 - ACS Publications
The structure of liquid water, its role in the solvation of ionic and neutral species, and its
effects on chemical reactions have been the focus of research for over a century, 1-12 and …

Hydrogen bonding definitions and dynamics in liquid water

R Kumar, JR Schmidt, JL Skinner - The Journal of chemical physics, 2007 - pubs.aip.org
X-ray and neutron diffractions, vibrational spectroscopy, and x-ray Raman scattering and
absorption experiments on water are often interpreted in terms of hydrogen bonding. To this …

Energetics of hydrogen bond network rearrangements in liquid water

JD Smith, CD Cappa, KR Wilson, BM Messer… - Science, 2004 - science.org
A strong temperature dependence of oxygen K-edge x-ray absorption fine structure features
was observed for supercooled and normal liquid water droplets prepared from the breakup …

Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water

JD Smith, CD Cappa, KR Wilson… - Proceedings of the …, 2005 - National Acad Sciences
The unique chemical and physical properties of liquid water are a direct result of its highly
directional hydrogen-bond (HB) network structure and associated dynamics. However …

High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs

T Tokushima, Y Harada, O Takahashi, Y Senba… - Chemical Physics …, 2008 - Elsevier
The structure of liquid water is presently under intense debate. We summarize the historical
development of the present description of water and the controversy surrounding the X-ray …

X-ray absorption spectra of water from first principles calculations

D Prendergast, G Galli - Physical review letters, 2006 - APS
We present a series of ab initio calculations of the x-ray absorption cross section (XAS) of ice
and liquid water at ambient conditions. Our results show that all available experimental data …

X-ray and electron spectroscopy of water

T Fransson, Y Harada, N Kosugi, NA Besley… - Chemical …, 2016 - ACS Publications
Here we present an overview of recent developments of X-ray and electron spectroscopy to
probe water at different temperatures. Photon-induced ionization followed by detection of …

Soft x-ray absorption spectroscopy of liquids and solutions

JW Smith, RJ Saykally - Chemical reviews, 2017 - ACS Publications
X-ray absorption spectroscopy (XAS) is an electronic absorption technique for which the
initial state is a deeply buried core level. The photon energies corresponding to such …

Alignment of the dye's molecular levels with the TiO2 band edges in dye-sensitized solar cells: a DFT–TDDFT study

F De Angelis, S Fantacci, A Selloni - Nanotechnology, 2008 - iopscience.iop.org
We present a theoretical study of the lineup of the LUMO of Ru (II)-polypyridyl (N3 and
N719) molecular dyes with the conduction band edge of a TiO 2 anatase nanoparticle. We …