Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …

We review oxygen K-edge X-ray absorption spectra of both molecules and solids. We start
with an overview of the main experimental aspects of oxygen K-edge X-ray absorption …

Solid/liquid interfaces are ubiquitous in nature and knowledge of their atomic-level structure
is essential in elucidating many phenomena in chemistry, physics, materials science and …

Ionic liquids (ILs) offer a wide range of promising applications because of their much
enhanced properties. However, further development of such materials depends on the …

Materials can be transformed from one crystalline phase to another by using an electric field
to control ion transfer, in a process that can be harnessed in applications such as batteries …

Interatomic or intermolecular Coulombic decay (ICD) is a nonlocal electronic decay
mechanism occurring in weakly bound matter. In an ICD process, energy released by …

Much of chemistry is concerned with the study of reactions and processes in solution, that is,
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …

After conquering the atomic structure about a century ago, chemists have been largely
interested in understanding the concept of chemical bond and the formation of a molecule …

Water is of the utmost importance for life and technology. However, a genuinely predictive
ab initio model of water has eluded scientists. We demonstrate that a fully ab initio approach …

Nuclear quantum effects influence the structure and dynamics of hydrogen-bonded systems,
such as water, which impacts their observed properties with widely varying magnitudes. This …