4 papers
The Surface Sensitivity of X-ray Second Harmonic Generation as a Function of Energy
Daniel Schacher, Tod A. Pascal, Keith V. Lawler +1
The surface sensitivity and probe depth in the x-ray regime of diamond for second harmonic generation (SHG) was investigated both analytically and computationally with velocity gau…
Practical Considerations for Finite Concentrations Molecular Dynamics Simulations
Xiaoxu Ruan, Fabrice Roncoroni, David Prendergast +1
Understanding concentrated electrolytes requires a theory that spans local hydration and mesoscale interfacial assembly. We present an integrated workflow-SCOPE-that combines (i) e…
Spectroscopic Determination of Site-Selective Ligand Binding on Single Anisotropic Nanocrystals
Dong Le, Wade Shipley, Alexandria Do +17
Organic surface ligands are integral components of nanocrystals and nanoparticles that have a strong influence on their physicochemical properties, their interaction with the envir…
Single-Molecule Vibrational Characterization of Binding Geometry Effects on Isocyanide-Metal Interactions
Liya Bi, Zhe Wang, Krista Balto +5
Isocyanide-metal binding is governed by sigma-donation and pi-back-bonding, which affects the energy of the isocyanide stretching mode-a characteristic probe for ligand-metal inter…