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!

Room-Temperature All-solid-state Na-ion Batteries with Cl-doped Na3PS4

In collaboration with the Laboratory of Energy Storage and Conversion (LESC), we have developed a room-temperature all-solid-state rechargeable sodium-ion battery utilizing a novel Cl-doped Na3PS4 superionic conductor. The Cl-doped tetragonal Na3PS4 solid electrolyte exhibits room-temperature Na+ conductivity exceeding 1 mS/cm, and an all-solid-state TiS2/t-Na3−xPS4−xClx/Na cell utilizing this solid electrolyte can be cycled at room-temperature at…

Materials Virtual Lab Retreat 2016

The Materials Virtual Lab held its first ever retreat today. We had a great day strategizing future research directions followed by a BBQ at La Jolla Shores. We officially welcome Chi Chen, Hui Zheng, and Zhuonan Lin to the group, and congratulate Richard Tran on transiting to a graduate student!

Data-driven Methods for the Study and Design of Alkali Superionic Conductors

Our article on “Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors” has been published in  Chemistry of Materials as part of an invited Methods and Protocols special topic. In this work, we provide a detailed exposition of the first principles techniques that can be used to design alkali superionic conductors, a…

Sodium-Rich Anti-Perovskite Solid Electrolytes

In this work published in the Journal of the Electrochemical Society, we studied the effect of cold-pressing and spark-plasma sintering (SPS) processing on the Na3OBr sodium-rich anti-perovskite solid electrolytes was studied. SPS was found to reduce the interfacial impedance by 3 orders of magnitude. The much lower conductivity of Na3OBr compared to the lithium analogue…

Uniform second Li ion intercalation in solid state ε-LiVOPO4

In this follow-on work as part of the NECCESS EFRC, a combination of hard and soft x–ray photoelectron and absorption spectroscopy techniques to depth profile solid state synthesized LiVOPO4, a promising multi-electron electrode for rechargeable lithium-ion batteries. This work confirms that limited kinetics in the high voltage regime are responsible for the inability to fully…