Divalent-doped NASICON with high Na+ conductivity

Our work on “Divalent-doped Na3Zr2Si2PO12 Natrium Superionic Conductor: Improving the ionic conductivity via simultaneously optimizing the phase and chemistry of the primary and secondary phases” has just been published in the Journal of Power Sources. In this work co-first-authored by Mojitaba Samiee (Luo group) and Balachandran Radhakrishnan (Ong group), we show that divalent dopants with low solubility in NASICON…

Goodbye to Bala

This week, we say goodbye to our very first alumni, Bala. We wish Bala all the best in his new post at NASA, and look forward to his future discoveries and success as a researcher!

Editor for Computational Materials Science

Professor Ong has been appointed to the Editorial Board of Computational Materials Science. The goal of Computational Materials Science is to report on results that provide new insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. All aspects of modern materials…

New Li3Y(PS4)2 and Li5PS4Cl2 Superionic Conductors

Zhuoying’s first author paper on “Li3Y(PS4)2 and Li5PS4Cl2, New Lithium Superionic Conductors Predicted from Silver Thiophosphates using Efficiently Tiered Ab Initio Molecular Dynamics Simulations” has just been published in Chemistry of Materials (Special Issue on High-Throughput Functional Materials Discovery). In this work, we propose two new lithium superionic conductors, Li3Y(PS4)2 and Li5PS4Cl2, that are predicted…

2016 year-end message by Prof Ong

2016 is coming to a close. Before some of you leave for the holidays, I would like to wish you all a Merry Christmas. This year, I have decided to start a new tradition – the year-end message. It has been a great year for the Materials Virtual Lab. We have come a long way…

We are hiring!

We are seeking to fill one postdoctoral position. Successful candidates will have the opportunity to lead exciting projects that integrate advanced first principles methods, information technology and experiments (through external collaborations) to develop novel materials in energy storage and solid-state lighting. They will also receive mentoring to prepare them for future careers in academia or…

Structure-Property-Composition Relations in β-SiAlON:Eu2+ Phosphor

Our work on “Elucidating Structure–Composition–Property Relationships of the β-SiAlON:Eu2+ Phosphor” has been published in Chemistry of Materials. Using first-principles calculations, we identified and confirmed various chemical rules for Si−Al, O−N, and Eu activator ordering in β-SiAlON, one of the most promising narrow-band green phosphors for high-power light-emitting diodes and liquid crystal display backlighting with wide color…

Thermodynamic scale of inorganic crystalline metastability

Prof Ong is a co-author on a recent article in Science Advances on the thermodynamic scale of inorganic crystalline metastability. This article uses the Materials Project, its API and pymatgen to perform a large-scale data-mining study of the thermodynamic scale of metastability for 29,902 observed inorganic crystalline phases. Press release is available on EurekAlert.

Ocean Discovery Institute

Professor Ong gave a talk on careers in STEM to 5th grade students from Hamilton Elementary at the Ocean Discovery Institute last Fri (Oct 14, 2016). He also worked with on building remotely operated vehicles. Check out the pictures below!