相关论文: Designing Superionic Conductors Using Tetrahedrall…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
The crystal chemical concept of arrangement and function of layered superconducting materials is supposed. The concept is based on results of our investigation of crystal chemistry of high-temperature superconductors (HTSC) cuprates,…
The high critical superconducting temperatures ($T_c$s) of metal hydride phases with clathrate-like hydrogen networks have generated great interest. Herein, we employ the Density Functional Theory-Chemical Pressure (DFT-CP) method to…
Junctions are fundamental elements that support qubit locomotion in two-dimensional ion trap arrays and enhance connectivity in emerging trapped-ion quantum computers. In surface ion traps they have typically been implemented by shaping…
Magnesium-ion batteries hold promise as future energy storage solution, yet current Mg cathodes are challenged by low voltage and specific capacity. Herein, we present an AI-driven workflow for discovering high-performance Mg cathode…
Ionic transports in nanopores hold the key to unlocking the full potential of bi-continuous nanoporous (NP) metals as advanced electrodes in electrochemical devices. The precise control of the uniform NP metal structures also provides us a…
Lithium thiophosphates (LPS) with the composition (Li$_2$S)$_x$(P$_2$S$_5$)$_{1-x}$ are among the most promising prospective electrolyte materials for solid-state batteries (SSBs), owing to their superionic conductivity at room temperature…
Originally developed technique based on generation of plasma-cluster flux emitted from cathode spots at surface of an integrally cold cathode has been applied for deposition of niobium superconductive (thick) film materials. Possibility for…
We report the observation of superconductivity in cubic La3Al single crystal. It shows a metallic behavior at a normal state without observable structural transition and enters the superconducting state below Tc ~ 6.32 K. Detailed…
Crystals exhibiting glass-like and low lattice thermal conductivity ($\kappa_{\rm L}$) are not only scientifically intriguing but also practically valuable in various applications, including thermal barrier coatings, thermoelectric energy…
Na-ion conduction, and correlations between Na-ion conduction pathways and crystal structure have been investigated as a function of temperature in the layered battery material Na2Ni2TeO6 by impedance spectroscopy and neutron diffraction,…
Large unit cell copper-chalcogenide based minerals with high crystalline anharmonicity have a potential for thermoelectric applications owing to their inherent poor lattice thermal conductivity. Here, the softening of copper-selenium…
Next-generation high-efficiency Li-ion batteries require an electrolyte that is both safe and thermally stable. A possible choice for high performance all-solid-state Li-ion batteries is a liquid crystal, which possesses properties…
Two-dimensional $p+ i p$ superconductors and superfluids are systems that feature chiral behavior emerging from the Cooper pairing of electrons or neutral fermionic atoms with non-zero angular momentum. Their realization has been a…
We present a rational approach to the design of half-metallic heterostructures which allows the design of an infinite number of half-metallic heterostructures. The wide range of materials that can be made half-metallic using our approach…
Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics, and practical performance are of considerable…
Understanding the fundamental link between structure and functionalization is crucial for the design and optimization of functional materials, since different structural configurations could trigger materials to demonstrate diverse…
Hybrid nanostructures from metal nanoparticles equipped with conducting polymer shells are of great interest for use as functional materials in sensing and optoelectronics, as well as for ink-deposited conductors. Here, we investigate the…
Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational design of SSICs and ultimately their deployment in battery technologies is hindered…
Zincblende copper iodide has attracted significant interest as a potential material for transparent electronics, thanks to its exceptional light transmission capabilities in the visible range and remarkable hole conductivity. However,…