Understanding the role of entropy in high entropy oxides
The field of high entropy oxides (HEOs) flips traditional materials science paradigms on their
head by seeking to understand what properties arise in the presence of profound …
head by seeking to understand what properties arise in the presence of profound …
Garnet-type solid-state electrolytes: materials, interfaces, and batteries
Solid-state batteries with desirable advantages, including high-energy density, wide
temperature tolerance, and fewer safety-concerns, have been considered as a promising …
temperature tolerance, and fewer safety-concerns, have been considered as a promising …
Wide band gap chalcogenide semiconductors
Wide band gap semiconductors are essential for today's electronic devices and energy
applications because of their high optical transparency, controllable carrier concentration …
applications because of their high optical transparency, controllable carrier concentration …
Cs2InAgCl6: A New Lead-Free Halide Double Perovskite with Direct Band Gap
A2BB′ X6 halide double perovskites based on bismuth and silver have recently been
proposed as potential environmentally friendly alternatives to lead-based hybrid halide …
proposed as potential environmentally friendly alternatives to lead-based hybrid halide …
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
Abstract The Open Quantum Materials Database (OQMD) is a high-throughput database
currently consisting of nearly 300,000 density functional theory (DFT) total energy …
currently consisting of nearly 300,000 density functional theory (DFT) total energy …
The thermodynamic scale of inorganic crystalline metastability
The space of metastable materials offers promising new design opportunities for next-
generation technological materials, such as complex oxides, semiconductors …
generation technological materials, such as complex oxides, semiconductors …
Interface stability in solid-state batteries
Development of high conductivity solid-state electrolytes for lithium ion batteries has
proceeded rapidly in recent years, but incorporating these new materials into high …
proceeded rapidly in recent years, but incorporating these new materials into high …
O2 Activation by Metal Surfaces: Implications for Bonding and Reactivity on Heterogeneous Catalysts
The activation of O2 on metal surfaces is a critical process for heterogeneous catalysis and
materials oxidation. Fundamental studies of well-defined metal surfaces using a variety of …
materials oxidation. Fundamental studies of well-defined metal surfaces using a variety of …
First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries
All-solid-state Li-ion batteries based on ceramic solid electrolyte materials are a promising
next-generation energy storage technology with high energy density and enhanced cycle …
next-generation energy storage technology with high energy density and enhanced cycle …
[HTML][HTML] Computation-accelerated design of materials and interfaces for all-solid-state lithium-ion batteries
The all-solid-state lithium-ion battery is a promising next-generation battery technology.
However, the realization of all-solid-state batteries is impeded by limited understanding of …
However, the realization of all-solid-state batteries is impeded by limited understanding of …