Cation Dynamics in Hybrid Halide Perovskites

no code implementations • 9 Dec 2020 • Eve M. Mozur, James R. Neilson

Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics.

Materials Science

Validation of non-negative matrix factorization for assessment of atomic pair-distribution function (PDF) data in a real-time streaming context

1 code implementation • 22 Oct 2020 • Chia-Hao Liu, Christopher J. Wright, Ran Gu, Sasaank Bandi, Allison Wustrow, Paul K. Todd, Daniel O'Nolan, Michelle L. Beauvais, James R. Neilson, Peter J. Chupas, Karena W. Chapman, Simon J. L. Billinge

We validate the use of matrix factorization for the automatic identification of relevant components from atomic pair distribution function (PDF) data.

Ternary Nitride Materials: Fundamentals and Emerging Device Applications

no code implementations • 15 Oct 2020 • Ann L. Greenaway, Celeste L. Melamed, M. Brooks Tellekamp, Rachel Woods-Robinson, Eric S. Toberer, James R. Neilson, Adele C. Tamboli

Interest in inorganic ternary nitride materials has grown rapidly over the past few decades, as their diversity of chemistries and structures make them appealing for a variety of applications.

Materials Science