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In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...
The stabilities and speciation of the halamines in water are difficult to characterize experimentally. We provide theoretical estimates of aqueous standard free energies of formation for inorganic chloramines, bromamines, and bromochloramines, based on hig ...
The onset of rapid slip along initially quiescent frictional interfaces, the process of “earthquake nucleation,” and dissipative spatiotemporal slippage dynamics play important roles in a broad range of physical systems. Here we first show that interfaces ...
The composition and oxidation state of aerosol iron were examined using synchrotron-based iron near-edge X-ray absorption spectroscopy. By combining synchrotron-based techniques with water leachate analysis, impacts of oxidation state and mineralogy on aer ...
Nanoparticles and method for producing uniform silicate-based nanoparticles are disclosed. The method comprises a step of injecting into tubular branched elements comprising static mixers a first aqueous solution comprising a water-soluble silicate compoun ...
There is a pressing need to develop sustainable and efficient methods to protect and stabilize iron objects. To develop a conservation-restoration method for corroded iron objects, this bio-protocol presents the steps to investigate reductive dissolution o ...
Transport of charged carriers in regimes of strong non-equilibrium is critical in a wide array of applications ranging from solar energy conversion and semiconductor devices to quantum information. Plasmonic hot-carrier science brings this regime of transp ...
Soluble transition metals in particulate matter (PM) can generate reactive oxygen species in vivo by redox cycling, leading to oxidative stress and adverse health effects. Most metals, such as those from roadway traffic, are emitted in an insoluble form, b ...
“Switchable water” is an aqueous solution containing a water‐soluble amine additive that exhibits CO2‐switchable properties, such as large changes in ionic strength, by forming an ammonium bicarbonate salt. Switchable water has been used to reversibly “sal ...
The plastic deformation in hcp metals is complex, with the associated dislocation core structures and properties not well understood on many slip planes in most hcp metals. A first step in establishing the dislocation properties is to examine the stable st ...