Informing Zeolite Synthesis Enabled by Natural Language Processing

5/22/2019

We have built an automated way to extract and combine body text and table information from published literature on the synthesis of zeolites, an industrially significant catalyst material. These tools are important as they move the field closer to the ability to predict and design synthesis routes for zeolites.

Stability of Excitons at Room Temperature in GaN Quantum Wells

5/1/2019 | D. Bayerl and E. Kioupakis

The effects of extreme confinement on the electronic, excitonic, and radiative properties of atomically thin GaN quantum wells were studied through use of first-principles calculations

2D Iodide-based Double Perovskite Templatedby Oligothiophene Spacer Cation

4/23/2019 | K. Gundogdu (NC State U.), W. You (U. NC), V. Blum, D. Mitzi (Duke U.)

In an effort to identify lead-free 2D hybrid organic-inorganic perovskites (HOIPs), double perovskites (DPs) with mixed-valent dual metals such as Ag and Bi are attractive. Additionally, replacing chloride and bromide anions with iodide represents an important target in these systems, due to associated lower bandgaps. So far iodide 2D DPs have proven inaccessible in bulk form when using traditional spacer cations, due to intrinsic instability or formation of competing non-perovskite phases.

Super-slick Coatings: Data Driven Design to Application

4/11/2019 | Sarbajit Banerjee

(Top left) Slices of a machine learning model designed to capture self-assembly of molecular monolayers on perovskite surfaces. (Top right) Photograph of a superslick surface comprising ZnO tetrapods functionalized with a molecular monolayer. (Lower) Lacy Douglas, Bill Tolar, Erick Braham, and Sarbajit Banerjee at I-corps Kick-off in Chicago.

Achieving a New Generation of 3D Nanostructures in Organic Electronics

4/1/2019 | C. Risko (U. Kentucky)

Rigid 3D polycyclic aromatic hydrocarbons (PAHs) have garnered interest due to their potential use in semiconductor applications and as models to study through-bond and through-space electronic interactions.

Grain Boundary Velocity Distributions

4/1/2019 | Gregory Rohrer, Robert Suter

Polycrystalline metals and ceramics are opaque to most forms of radiation. Because of this, it has not been possible to observe the motion of grain boundaries within a polycrystalline network.

Hydroxide Diffusion in Anion Exchange Membranes

2/28/2019

The development of reliable, cost-effective polymer architectures for use as anion exchange membranes (AEMs) is an important challenge facing emerging electrochemical device technologies.

Predicting Anisotropic Performance in Thermoelectrics

2/15/2019 | Eric Toberer, Vladan Stevanovic

Anisotropic properties yield anisotropic thermoelectric performance. Heat maps show lattice thermal conductivity (kL), mobility (uH) and ultimate thermoelectric performance (b)

Double Doping of Organic Semiconducting Polymers

1/14/2019 | Seth Marder (Georgia Tech.)

Molecular doping is a crucial tool for controlling the number of charge carriers in organic semiconductors, which in turn tunes the conductivity of the materials.

Closed-loop Design of Heterostructures for Solar Energy Conversion

12/13/2018 | S. Banerjee (TAMU), D. Watson (U. Buffalo), and L. Piper (Binghamton)

Schematic illustration of CdSe/β-SnxV2O5 heterostructures that enable photocatalytic water splitting; Right: illustration of design of MxV2O5 compounds with p-block cations that yield mid-gap states.

Research Highlights