JM Herbert - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Time-dependent density functional theory (TD-DFT) is the most widely-used electronic structure method for excited states, due to a favorable combination of low cost and semi …
Solvated electrons are typically generated by radiolysis or photoionization of solutes. While plasmas containing free electrons have been brought into contact with liquids in studies …
The hydrated electron, e–(aq), has attracted much attention as a central species in radiation chemistry. However, much less is known about e–(aq) at the water/air surface, despite its …
JM Herbert - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
Recently there has been a revival of interest in the basic structure of the aqueous or “hydrated” electron, e−(aq). According to the conventional picture, this species occupies a …
Based on the current knowledge, a plasma–liquid interface looks and behaves very differently from its counterpart at a solid surface. Local processes characteristic to most …
DT Elg, HE Delgado, DC Martin, RM Sankaran… - … Acta Part B: Atomic …, 2021 - Elsevier
The solvated electron is one of the strongest known reducing species. Solution-based glow discharges, in which a gaseous discharge is ignited between a metal electrode and a liquid …
A Kumar, JA Walker, DM Bartels… - The Journal of Physical …, 2015 - ACS Publications
Since its discovery over 50 years ago, the “structure” and properties of the hydrated electron have been a subject for wonderment and also fierce debate. In the present work we …
A primary means to generate hydrated electrons in laboratory experiments is excitation to the charge-transfer-to-solvent (CTTS) state of a solute such as I–(aq), but this initial step in …
We provide a consistent description of the electronic levels associated with localized and delocalized excess electrons in liquid water by combining hybrid-functional molecular …