Advances in materials and applications of inorganic electrides
Electrides are materials in which electrons serve as anions. Here, the concept of inorganic
electrides is extended in several respects: from ionic crystals to intermetallic compounds in …
electrides is extended in several respects: from ionic crystals to intermetallic compounds in …
Electrides: a review
Electrides are systems in which an electron is not bound to an atom and plays an active role
in the materials structure. We present concise summaries of the different types of electride in …
in the materials structure. We present concise summaries of the different types of electride in …
Prediction of the two-dimensional Janus ferrovalley material LaBrI
Two-dimensional (2D) ferrovalley materials, displaying coexistence of spontaneous spin
and valley polarizations, have recently attracted significant attention due to their potential for …
and valley polarizations, have recently attracted significant attention due to their potential for …
Lu–H–N phase diagram from first-principles calculations
Employing a comprehensive structure search and high-throughput first-principles calculation
method on 1561 compounds, the present study reveals the phase diagram of Lu–H–N. In …
method on 1561 compounds, the present study reveals the phase diagram of Lu–H–N. In …
Machine Learning-Accelerated Discovery of A2BC2 Ternary Electrides with Diverse Anionic Electron Densities
This study combines machine learning (ML) and high-throughput calculations to uncover
new ternary electrides in the A 2 BC 2 family of compounds with the P 4/mbm space group …
new ternary electrides in the A 2 BC 2 family of compounds with the P 4/mbm space group …
Sc2C, a 2D Semiconducting Electride
Electrides are exotic materials that typically have electrons present in well-defined lattice
sites rather than within atoms. Although all known electrides have an electropositive metal …
sites rather than within atoms. Although all known electrides have an electropositive metal …
High-throughput computational discovery and intelligent design of two-dimensional functional materials for various applications
Conspectus Novel technologies and new materials are in high demand for future various
applications to overcome the fundamental limitations of current techniques. For example, the …
applications to overcome the fundamental limitations of current techniques. For example, the …
Proposed Superconducting Electride by -Hybridized Cage States at Moderate Pressures
The combination of electride state and superconductivity within the same compound, eg,[Ca
24 Al 28 O 6] 4+(4 e−), opens up a new category of conventional superconductors. However …
24 Al 28 O 6] 4+(4 e−), opens up a new category of conventional superconductors. However …
High-throughput identification of exfoliable two-dimensional materials with active basal planes for hydrogen evolution
Two-dimensional (2D) materials with intrinsically active basal planes are promising
alternative catalysts to the Pt-group noble metals for large-scale hydrogen production …
alternative catalysts to the Pt-group noble metals for large-scale hydrogen production …
Perovskite synthesizability using graph neural networks
Perovskite is an important material type in geophysics and for technologically important
applications. However, the number of synthetic perovskites remains relatively small. To …
applications. However, the number of synthetic perovskites remains relatively small. To …