Related papers: Compositionally Complex Perovskite Oxides as a New…
The high ionic conducting sodium superionic conductor Na3Zr2Si2PO12 -NaI composites have been prepared successfully via solid state reaction route. As the NaI content increases, the ionic conductivity significantly changes. The composites…
Calcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization of CBs remains limited by the scarcity of positive electrode…
Novel halide perovskites with improved stability and optoelectronic properties can be designed via composition engineering at cation and/or anion sites. Data-driven methods, especially high-throughput first principles computations and…
We consider basic and easily extendible transport formulations for lithium batteries consisting of an anode (Li-foil), a separator (polymer electrolyte), and a composite cathode (composed of electrolyte and intercalation particles). Our…
We propose an efficient computational methodology for predicting the synthesizability of high entropy oxides (HEOs) in a large space of possible candidate compounds. HEOs are a growing field with an enormous potential chemical composition…
Solid polymer electrolytes for lithium batteries promise improvements in safety and energy density if their conductivity can be increased. Nanostructured block copolymer electrolytes specifically have the potential to provide both good…
Lithium-rich antiperovskite promise to be a compelling high-capacity cathode material due to existence of both cationic and anionic redox activity. Little is however known about the effect of separating the electrochemical cationic from the…
The search for room-temperature superconductors is a major challenge in modern physics. The discovery of copper-oxide superconductors in 1986 brought hope but also revealed complex mechanisms that are difficult to analyze and compute. In…
It is of great importance to develop inorganic solid electrolytes with high ionic conductivity, thus enabling solid state Li-ion batteries to address the notorious safety issue about the current technology due to use of highly flammable…
Li-Ion Solid-State Electrolytes (Li-SSEs) are a promising solution that resolves the critical issues of conventional Li-Ion Batteries (LIBs) such as poor ionic conductivity, interfacial instability, and dendrites growth. In this study, a…
The real-time dissolution of the single-phase compositionally complex alloy (CCA), Al1.5TiVCr, was studied using an inline inductively coupled plasma method. Compositionally complex alloys (CCAs), a term encompassing high entropy alloys…
As one of the most promising next-generation energy storage device, lithium metal batteries have been extensively investigated. However, the poor safety issue and undesired lithium dendrites growth hinder the development of lithium metal…
In this review, from crystallographic symmetry to amorphous local polyhedra arrangement and combinations, we examine inorganic solid state electrolytes through the lens of structure property relationships, with oxides, sulfides, and halides…
Molecular zero-dimensional (0D) halide perovskite-inspired cesium copper iodide (Cs3Cu2I5) is a highly promising candidate for optoelectronic applications due to their low toxicity, high stability, and intense blue emission. However, their…
Perovskite light-emitting diodes (PeLEDs) have drawn considerable attention for their favorable optoelectronic properties. Perovskite light-emitting electrochemical cells (PeLECs) _ devices that utilize mobile ions _ have recently been…
Organic-inorganic perovskite light-emitting devices have recently emerged as a reliable light source. Here, we developed a Single Layer Perovskite Light-Emitting Electrochemical Cells (SL-PeLEC) with laminated free-standing Carbon Nanotube…
Lithium halides with the general formula Li$_x$M$_y$X$_6$, where M indicates transition metal ions and X halide anions are very actively studied as solid-state electrolytes, because of relatively low cost, high stability and Li…
In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric $PbTiO_3$/$SrTiO_3$ system. Via exploring a conguration space including over $3 \times 10^6$ candidates, two special…
In the development of low cost, sustainable, and energy-dense batteries, chloride-based compounds are promising catholyte materials for solid-state batteries owing to their high Na-ion conductivities and oxidative stabilities. The ability…
This manuscript presents a working model linking chemical disorder and transport properties in correlated-electron perovskites with high-entropy formulations and a framework to actively design them. We demonstrate this new learning in…