Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and .

We present a quantitatively accurate machine-learning (ML) model for the computational prediction of core-electron binding energies, from which X-ray photoelectron spectroscopy (XPS) spectra can be readily obtained. Our model combines density functional theory (DFT) with and uses kernel ridge regression for the ML predictions. We apply the new approach to disordered materials and small molecules containing carbon, hydrogen, and oxygen and obtain qualitative and quantitative agreement with experiment, resolving spectral features within 0.

Enhanced Thermoelectric Transport and Stability in Atomic Layer Deposited-HfO/ZnO and TiO/ZnO-Sandwiched Multilayer Thin Films.

Herein, enhancements in thermoelectric (TE) performance, both the power factor (PF) and thermal stability, are exhibited by sandwiching HfO and TiO layers onto atomic layer deposited-ZnO thin films. High-temperature TE measurements from 300 to 450 K revealed an almost two-fold improvement in electrical conductivity for TiO/ZnO (TZO) samples, primarily owing to an increase in carrier concentration by Ti doping. On the other hand, HfO/ZnO (HZO) achieved the highest PF values owing to maintaining Seebeck coefficients comparable to pure ZnO.

Simultaneous Detection of Morphine and Codeine in the Presence of Ascorbic Acid and Uric Acid and in Human Plasma at Nafion Single-Walled Carbon Nanotube Thin-Film Electrode.

In clinical settings, the dosing and differential diagnosis of the poisoning of morphine (MO) and codeine (CO) is challenging due to interindividual variations in metabolism. However, direct electrochemical detection of these analytes from biological matrices is inherently challenging due to interference from large concentrations of anions, such as ascorbic acid (AA) and uric acid (UA), as well as fouling of the electrode by proteins. In this work, a disposable Nafion-coated single-walled carbon nanotube network (SWCNT) electrode was developed.

Bioprocessing of Bacterial Cellulose with Graphene: Percolation Network Formation, Kinetic Analysis with Physicochemical and Structural Properties Assessment.

The understanding of microbial growth dynamics during fermentation and production of bacterial cellulose (BC) with impressive properties mimicking artificial nacre, suitable for commodity applications remains fundamentally challenging. Fabrication of BC/graphene films through a single step fermentation with improved properties provides a sustainable replacement to the conventional chemical-based modification using toxic compounds. This work reports the effect of reduced graphene oxide (RGO) on fermentation kinetics and demonstrates the formation of percolated-network in BC/RGO nanostructures.

Integrating Carbon Nanomaterials with Metals for Bio-sensing Applications.

Age structure in most developed countries is changing fast as the average lifespan is increasing significantly, calling for solutions to provide improved treatments for age-related neurological diseases and disorders. In order to address these problems, a reliable way of recording information about neurotransmitters from in vitro and in vivo applications is needed to better understand neurological diseases and disorders as well as currently used treatments. Likewise, recent developments in medicine, especially with the opioid crisis, are demanding a swift move to personalized medicine to administer patient needs rather than population-wide averages.

Aluminum Nitride Transition Layer for Power Electronics Applications Grown by Plasma-Enhanced Atomic Layer Deposition.

Aluminum nitride (AlN) films have been grown using novel technological approaches based on plasma-enhanced atomic layer deposition (PEALD) and in situ atomic layer annealing (ALA). The growth of AlN layers was carried out on Si<100> and Si<111> substrates at low growth temperature. The investigation of crystalline quality of samples demonstrated that PEALD grown layers were polycrystalline, but ALA treatment improved their crystallinity.

Characterization and electrochemical properties of iron-doped tetrahedral amorphous carbon (ta-C) thin films.

Iron-doped tetrahedral amorphous carbon thin films (Fe/ta-C) were deposited with varying iron content using a pulsed filtered cathodic vacuum arc system (p-FCVA). The aim of this study was to understand effects of iron on both the physical and electrochemical properties of the otherwise inert sp-rich ta-C matrix. As indicated by X-ray photoelectron spectroscopy (XPS), even ∼0.

Application-Specific Catalyst Layers: Pt-Containing Carbon Nanofibers for Hydrogen Peroxide Detection.

Complete removal of metal catalyst particles from carbon nanofibers (CNFs) and other carbon nanostructures is extremely difficult, and the envisioned applications may be compromised by the left-over impurities. To circumvent these problems, one should use, wherever possible, such catalyst materials that are meant to remain in the structure and have some application-specific role, making any removal steps unnecessary. Thus, as a proof-of-concept, we present here a nanocarbon-based material platform for electrochemical hydrogen peroxide measurement utilizing a Pt catalyst layer to grow CNFs with intact Pt particles at the tips of the CNFs.