Water structure near electrode interfaces may play an important role in controlling CO2 electroreduction. Using plasmon-enhanced vibrational sum frequency generation spectroscopy, we demonstrate the emergence of an interfacial water subpopulation with large electric fields along their OH bonds, when Na2CO3 ions are present near the electrode under ...
Deposition of epitaxial oxide semiconductor films using physical vapor deposition methods requires a detailed understanding of the role of energetic particles to control and optimize the film properties. In the present study, Ga 2 O 3 thin films are heteroepitaxially grown on Al 2 O 3 (0001) substrates using oxygen ion beam sputter deposition. The ...
In photon upconverting core-shell nanoparticles, structure strongly dictates performance. Typical imaging in scanning transmission electron microscopy has sufficient resolution to probe the atomic structure of these nanoparticles, but contrast, dose, and projection limitations make conventional methods insufficient for fully characterizing these st...
The incorporation of boron into a diamond lattice holds the potential to advance X-ray optics, offering the capability to manipulate various parameters of the lattice. This includes enhancing near-infrared absorption relative to pure diamond, thereby enabling Q-switchable optics. The use of MeV boron implantation emerges as a promising method for p...
An in‐depth investigation of transition metal impurities (Hf, Zr, Nb, and W) is presented as shallow donors in monoclinic Ga2O3 using first‐principles calculations within the framework of density functional theory. A combination of semilocal and hybrid functionals is used to predict their binding energies and hyperfine parameters. The generalized g...
A multi-scale simulation framework for ion-solid interactions in plasma-exposed materials provides crucial insight into advancing fusion energy and space electric propulsion. Leveraging binary-collision approximation (BCA) simulations, the framework uniquely predicts sputter yields and analyzes material transport within volumetrically complex mater...
We have investigated the electrical transport properties of nanodevices fabricated from exfoliated flakes of two-dimensional metallic ferromagnets Fe3GeTe2 (FGT) and Fe5Ge2Te2 (FG2T) down to below three layers in thickness. The per-layer anomalous Hall conductivity even in thick FGT and FG2T devices is found to be much smaller than ∼e2h, the approx...
First-principles calculations of defects and electron–phonon interactions play a critical role in the design and optimization of materials for electronic and optoelectronic devices. The late Audrius Alkauskas made seminal contributions to developing rigorous first-principles methodologies for the computation of defects and electron–phonon interacti...
Scandium nitride (ScN) is an attractive material for electronic applications due to its high n-type conductivity. Native defects and unintentional impurities may limit its electron concentration and reduce its mobility; therefore, it is important to control their formation and incorporation. Hydrogen and oxygen are unintentional impurities that are...
