相关论文: Stacking Faults Assist Lithium-Ion Conduction in a…
Argyrodite solid electrolytes, such as Li$_6$PS$_5$Cl, exhibit some of the highest known superionic conductivities. Yet, the mechanistic understanding of Li$^+$ transport in realistic argyrodite microstructures -- where atomic-scale…
We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7Li under hydrostatic conditions between 5 top 55GPa and…
It has been shown recently that the overpotential originating from ionic conduction of alkali-ions through the inner dense solid-electrolyte interphase (SEI) is strongly non-linear. An empirical equation was proposed to merge the measured…
Alkali metal anodes paired with solid ion conductors offer promising avenues for enhancing battery energy density and safety. To facilitate rapid ion transport crucial for fast charging and discharging, it is essential to understand point…
We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles density functional theory to study the (meta-)stability of a wide range of LixNy clusters. We found that hybrid…
Crystal stacking offers a powerful yet underexplored route to engineer symmetry in layered superconductors. Here we report superconductivity in rhombohedral-stacked NbSe2 (3R-NbSe2), a non-centrosymmetric polytype in which global inversion…
Recent measurements on ion conducting glasses have revealed that conductivity spectra for various temperatures and ionic concentrations can be superimposed onto a common master curve by an appropriate rescaling of the conductivity and…
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…
We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…
We have prepared the new amorphous superconductor $\rm Mo_xC_yGa_zO_{\delta}$ with a maximum critical temperature $T_c$ of 3.8\,K by the direct-write nano-patterning technique of focused (gallium) ion beam induced deposition (FIBID) using…
We apply the density functional theory for superconductors (SCDFT) based on the local-density approximation (LDA) to alkali-doped fullerides A3C60 with the face-centered cubic structure. We evaluate the superconducting transition…
Color centers in silicon carbide (SiC) have demonstrated significant promise for quantum information processing. However, the undesirable ionization process that occurs during optical manipulation frequently causes fluctuations in the…
The mixed ionic-electronic conductor $\beta$-Zn$_4$Sb$_3$ is a cheap and high performing thermoelectric material, but under operating conditions with a temperature gradient and a running current, the material decomposes as Zn readily…
Lattice defects such as stacking faults may obscure electronic topological features of real materials. In fact, defects are a source of disorder that can enhance the density of states and conductivity of the bulk of the system and they…
Interfacial deposition stability between Li metal and a solid electrolyte (SE) is important in preventing interfacial contact loss, mechanical fracture, and dendrite growth in Li-metal solid-state batteries (SSB). In this work, we…
We have developed a technique to tune the carrier density in graphene using a lithium-ion-based solid electrolyte. We demonstrate that the solid electrolyte can be used as both a substrate to support graphene and a back gate.It can induce a…
In modern rare isotope facilities, ion cooling and bunching lies at the heart of the ion transfer along a low-energy beam line that consists of several differential pumping stages. We present a conceptual design of an ion guide as an…
We calculate the degree of flux pinning by defects in model high-temperature superconductors (HTSC's). The HTSC is modeled as a three-dimensional network of resistively-shunted Josephson junctions in an external magnetic field,…
Investigation of the inherent field-driven charge transport behaviour of 3D lead halide perovskites has largely remained a challenging task, owing primarily to undesirable ionic migration effects near room temperature. In addition, the…
Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This motivates the search for new oxide materials with enhanced…