Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
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 …
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
Water determines the structure and dynamics of proteins
Water is an essential participant in the stability, structure, dynamics, and function of proteins
and other biomolecules. Thermodynamically, changes in the aqueous environment affect …
and other biomolecules. Thermodynamically, changes in the aqueous environment affect …
[HTML][HTML] Perspective: How good is DFT for water?
Kohn-Sham density functional theory (DFT) has become established as an indispensable
tool for investigating aqueous systems of all kinds, including those important in chemistry …
tool for investigating aqueous systems of all kinds, including those important in chemistry …
How water's properties are encoded in its molecular structure and energies
How are water's material properties encoded within the structure of the water molecule? This
is pertinent to understanding Earth's living systems, its materials, its geochemistry and …
is pertinent to understanding Earth's living systems, its materials, its geochemistry and …
Protons and hydroxide ions in aqueous systems
Understanding the structure and dynamics of water's constituent ions, proton and hydroxide,
has been a subject of numerous experimental and theoretical studies over the last century …
has been a subject of numerous experimental and theoretical studies over the last century …
Water is an active matrix of life for cell and molecular biology
P Ball - Proceedings of the National Academy of Sciences, 2017 - National Acad Sciences
Szent-Győrgi called water the “matrix of life” and claimed that there was no life without it.
This statement is true, as far as we know, on our planet, but it is not clear whether it must …
This statement is true, as far as we know, on our planet, but it is not clear whether it must …
Free energy of proton transfer at the water–TiO 2 interface from ab initio deep potential molecular dynamics
TiO2 is a widely used photocatalyst in science and technology and its interface with water is
important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether …
important in fields ranging from geochemistry to biomedicine. Yet, it is still unclear whether …
Mechanism of cations suppressing proton diffusion kinetics for electrocatalysis
Proton transfer is crucial for electrocatalysis. Accumulating cations at electrochemical
interfaces can alter the proton transfer rate and then tune electrocatalytic performance …
interfaces can alter the proton transfer rate and then tune electrocatalytic performance …
Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics
The chemical equilibrium between self-ionized and molecular water dictates the acid–base
chemistry in aqueous solutions, yet understanding the microscopic mechanisms of water self …
chemistry in aqueous solutions, yet understanding the microscopic mechanisms of water self …
Ultrafast 2D IR spectroscopy of the excess proton in liquid water
Despite decades of study, the structures adopted to accommodate an excess proton in water
and the mechanism by which they interconvert remain elusive. We used ultrafast two …
and the mechanism by which they interconvert remain elusive. We used ultrafast two …