Research Archive

Unraveling Changes to PbS Nanocrystal Surfaces Induced by Thiols

Here, we report three separate ligand-based reaction mechanisms between oleate-capped PbS NCs and the exchange thiol ligand, undec-10-ene-1-thiol (UDT), and unveil how these three pathways are intertwined.

Nuclear–electronic orbital approach to quantization of protons in periodic electronic structure calculations

In this work, we present a strategy to implement the NEO method for periodic electronic structure calculations, particularly focused on multicomponent density functional theory (DFT).

Role of Nitric Oxide-Releasing Glycosaminoglycans in Wound Healing

Two glycosaminoglycan (GAG) biopolymers, hyaluronic acid (HA) and chondroitin sulfate (CS), were chemically modified via carbodiimide chemistry to facilitate the loading and release of nitric oxide (NO) to develop a multi-action wound healing agent.

Monolithic and Single-Crystalline Aluminum–Silicon Heterostructures

Here, we report on the formation of monolithic Al–Si heterostructures obtained from both bottom-up and top-down fabricated Si nanostructures and Al contacts.

Quantifying Properties of Polysaccharide Solutions

We apply a scaling theory of semidilute polymer solutions to quantify solution properties of polysaccharides such as galactomannan, chitosan, sodium carboxymethyl cellulose, hydroxypropyl methyl cellulose, methyl cellulose, xanthan, apple pectin, cellulose tris(phenyl carbamate), hydroxyethyl cellulose, hydroxypropyl cellulose, sodium hyaluronate, sodium alginate, and sodium κ-carrageenan.

Resolving Halide Ion Stabilization through Kinetically Competitive Electron Transfers

Herein, a competitive kinetic approach to quantify the stabilization of a halide ion toward oxidation imparted by specific stabilizing groups relative to a solvated halide ion is reported.

Morphology and Viscosity Changes after Reactive Uptake of Isoprene Epoxydiols in Submicrometer Phase Separated Particles with Secondary Organic Aerosol Formed from Different Volatile Organic Compounds

Herein, we show that the viscosity and morphology of initially core–shell (inorganic–organic) particles changed substantially after acid-catalyzed reactive uptake of isoprene epoxydiols (IEPOX), and that differences were highly dependent on VOC precursor (α-pinene, β-caryophyllene, isoprene, and toluene).

Free Energy Dependencies for Interfacial Electron Transfer from Tin-Doped Indium Oxide (ITO) to Molecular Photoredox Catalysts

Herein, the kinetics for interfacial electron transfer from mesoporous transparent conductive oxide Tin-doped Indium Oxide (ITO) to four photoredox catalysts (PCs) were characterized in acetonitrile electrolytes.

Nonlinear electronic excitation in water under proton irradiation: a first principles study

We study the spatial and temporal changes to the excited holes generated in this ionization event using first-principles theory simulation.

Quantifying the Local Structure of Nanocrystals, Glasses, and Interfaces Using TEM-Based Diffraction

In this review, we introduce the theory behind ePDF, describe common methods for data acquisition, and highlight recent advances in the ePDF technique, including its combination with cryo-electron microscopy, ultrafast TEM, and precession electron diffraction.

Heterointerface Engineering of Ni2P–Co2P Nanoframes for Efficient Water Splitting

We report here a novel, frame-like nanostructured catalyst (Ni,Co)2P nanoframe (NF), which consists of heterostructured Ni2P–Co2P nanoparticles embedded in the N-doped carbon matrix.

Correlating Thermodynamic and Kinetic Hydricities of Rhenium Hydrides

The kinetics of hydride transfer from Re(Rbpy)(CO)3H (bpy = 4,4′-R-2,2′-bipyridine; R = OMe, tBu, Me, H, Br, COOMe, CF3) to CO2 and seven different cationic N-heterocycles were determined.