A fresh perspective on metal ammonia molecular complexes and expanded metals: opportunities in catalysis and quantum information
Recent advances in our comprehension of the electronic structure of metal ammonia
complexes have opened avenues for novel materials with diffuse electrons. These …
complexes have opened avenues for novel materials with diffuse electrons. These …
Temperature dependent properties of the aqueous electron
The temperature‐dependent properties of the aqueous electron have been extensively
studied using mixed quantum‐classical simulations in a wide range of thermodynamic …
studied using mixed quantum‐classical simulations in a wide range of thermodynamic …
Roles of H-Bonding and Hydride Solvation in the Reaction of Hydrated (Di)electrons with Water to Create H2 and OH–
WR Borrelli, JL Guardado Sandoval… - Journal of Chemical …, 2024 - ACS Publications
Even though single hydrated electrons (e hyd–'s) are stable in liquid water, two hydrated
electrons can bimolecularly react with water to create H2 and hydroxide: e hyd–+ e hyd–+ …
electrons can bimolecularly react with water to create H2 and hydroxide: e hyd–+ e hyd–+ …
Plasma‐Assisted CO2 Reduction into Nanocarbon in Water Using Sonochemically Dispersed Liquid Gallium
AH Babikir, MGM Ekanayake, O Oloye… - Advanced Functional …, 2024 - Wiley Online Library
Carbon dioxide is a greenhouse gas that contributes to global warming but fortunately can
be removed via chemical conversion processes that often involve a reduction step. Dielectric …
be removed via chemical conversion processes that often involve a reduction step. Dielectric …
Solvated Electrons: Dynamic Reductant in Visible Light Photoredox Catalysis
Open shell species are alluring significant attention owing to their unique physiochemical
properties in redox chemistry for activating remarkably stable bonds. Solvated electrons are …
properties in redox chemistry for activating remarkably stable bonds. Solvated electrons are …
How to Probe Hydrated Dielectrons Experimentally: Ab Initio Simulations of the Absorption Spectra of Aqueous Dielectrons, Electron Pairs, and Hydride
In the radiation chemistry of water, two hydrated electrons (e hyd−) can react to form H2 and
OH–. Experiments and simulations suggest that this reaction occurs through a mechanism …
OH–. Experiments and simulations suggest that this reaction occurs through a mechanism …
Multifunctional Roles of Clathrate Hydrate Nanoreactors for CO2 Reduction
H Huang, L Xue, Y Bu - Chemistry–A European Journal, 2023 - Wiley Online Library
In this study, we explore a possible platform for the CO2 reduction (CO2R) in one of water's
solid phases, namely clathrate hydrates (CHs), by ab initio molecular dynamics and well …
solid phases, namely clathrate hydrates (CHs), by ab initio molecular dynamics and well …
Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics
We present condensed-phase first-principles molecular dynamics simulations to elucidate
the presence of different electron trap** sites in liquid methanol and their roles in the …
the presence of different electron trap** sites in liquid methanol and their roles in the …
Electrochemical Nitrate‐to‐Ammonia Conversion Enabled by Carbon‐Decoration of Ni─GaOOH Synthesized via Plasma‐Assisted CO2 Reduction
The release of nitrates into the environment leads to contaminated soil and water that poses
a health risk to humans and animals. Due to the transition to renewable energy‐based …
a health risk to humans and animals. Due to the transition to renewable energy‐based …
Electric Double Layer Effect on the Outer-Sphere Benzyl Halides Electro-Reduction Mechanism
Electrocatalytic reduction of organic halides and subsequent carboxylation are promising
methods for the valorization of CO2 as a C1 source in synthetic organic chemistry. The …
methods for the valorization of CO2 as a C1 source in synthetic organic chemistry. The …