Fe3S4@Li7P3S11 nanocomposites as cathode materials for all-solid-state lithium batteries with improved energy density and low cost

All-solid-state lithium batteries are considered as one of the most promising alternatives to traditional lithium-ion batteries because of their high safety and high energy density. In order to further improve the energy density of all-solid-state lithium batteries, sulfide electrodes with high theoretical capacities and solid electrolytes with high ionic conductivities have been widely explored and successfully demonstrated in all-solid-state lithium batteries. However, the interfacial resistance arising from poor interfacial compatibility and loose contact seriously hinders the electrochemical performances of all-solid-state lithium batteries. Fe3S4 ultrathin nanosheets with a thickness of 15 nm are synthesized by a facile polyvinyl alcohol-assisted precipitation method. In order to achieve intimate contact between sulfide electrodes and sulfide solid electrolytes, Fe3S4 nanosheets are in situ coated with Li7P3S11 and employed as cathode materials in Li/75% Li2S-24% P2S5-1% P2O5/Li10GeP2S12/Fe3S4@Li7P3S11 all-solid-state lithium batteries to investigate their electrochemical performances. Fe3S4@Li7P3S11 nanocomposite electrodes exhibit higher discharge capacity and better rate capability than pristine Fe3S4 nanosheets. After 200 cycles, the discharge capacity remained at a high value of 1001 mA h g(-1) at a current density of 0.1 A g(-1). The superior cycling stability could be ascribed to intimate contact and low charge transfer resistance at the interface between electrodes and solid electrolytes

SaaS sRNA promotes Salmonella intestinal invasion via modulating MAPK inflammatory pathway

ABSTRACTSalmonella Enteritidis is a foodborne enteric pathogen that infects humans and animals, utilizing complex survival strategies. Bacterial small RNA (sRNA) plays an important role in these strategies. However, the virulence regulatory network of S. Enteritidis remains largely incomplete and knowledge of gut virulence mechanisms of sRNAs is limited. Here, we characterized the function of a previously identified Salmonella adhesive-associated sRNA (SaaS) in the intestinal pathogenesis of S. Enteritidis. We found that SaaS promoted bacterial colonization in both cecum and colon of a BALB/c mouse model; it was preferentially expressed in colon. Moreover, our results showed that SaaS enhanced damage to mucosal barrier by affecting expressions of antimicrobial products, decreasing the number of goblet cells, suppressing mucin gene expression, and eventually reducing thickness of mucus layer; it further breached below physical barrier by strengthening invasion into epithelial cells in Caco-2 cell model as well as decreasing tight junction expressions. High throughput 16S rRNA gene sequencing revealed that SaaS also altered gut homeostasis by depleting beneficial gut microbiota while increasing harmful ones. Furthermore, by employing ELISA and western blot analysis, we demonstrated that SaaS regulated intestinal inflammation through sequential activation P38-JNK-ERK MAPK signaling pathway, which enabled immune escape at primary infection stage but strengthened pathogenesis at later stage, respectively. These findings suggest that SaaS plays an essential role in the virulence of S. Enteritidis and reveals its biological role in intestinal pathogenesis

Co3S4@Li7P3S11 Hexagonal Platelets as Cathodes with Superior Interfacial Contact for All-Solid-State Lithium Batteries

Poor solid-solid contact between an electrode and solid electrolyte is a great challenge for all-solid-state lithium batteries (ASSLBs) which results in limited ion transport and eventually leads to rapid capacity fading. Twodimensional (2D) materials have incomparable advantage in the construction of the desired interface because of their flat surface and large specific surface area. In order to realize intimate interfacial contact and superior ion transport, monodisperse 2D Co3S4 hexagonal platelets as cathodes for all ASSLBs are synthesized through a series of topological reactions followed with in situ coating of tiny Li7P3S11 using a liquid-phase method. The unique 2D hexagonal platelets are favorable for in situ solid electrolyte coating. Moreover, the well-designed interfacial structure can make the electrode materials contact with solid electrolytes more closely, contributing to a remarkable improvement on electrochemical performance. ASSLBs employing the Co3S4@Li7P3S11 composite platelets as a cathode deliver a large reversible capacity of 685.9 mA h g(-1) at 0.5 A g(-1) for 50 cycles. Even at a high current density of 1 A g(-1), the Co3S4@Li7P3S11 composite cathode still exhibits a high capacity of 457.3 mA h g(-1) after 100 cycles. This work provides a simple strategy to design the composite electrode with intimate contact and superior ion transport via morphology controlling

Highly Crystalline Layered VS2. Nanosheets for All-Solid-State Lithium Batteries with Enhanced Electrochemical Performances

All-solid-state lithium batteries employing inorganic solid electrolytes have been regarded as an ultimate solution to safety issues because of their features of no leakage as well as incombustibility and they are expected to achieve higher energy densities owing to their simplified structure. Two-dimensional transition-metal dichalcogenides exhibit a great potential in energy storage devices because of their unique physical and chemical characteristics. In this work, 50 nm thick highly crystalline layered VS2 (hc-VS2) nanosheets are prepared by a solvothermal method, and their electrochemical performances are evaluated in Li/75% Li2S-24% P2S5-1% P2O5/Li10GeP2S12/hc-VS2 all-solid-state lithium batteries. At 50 mA g(-1),he-VS2 nanosheets show a high reversible capacity of 532.2 mAh g(-1) after 30 cycles. Moreover, stable discharge capacities are maintained at 436.8 and 270.4 mAh g(-1) at 100 and 500 mA after 100 cycles, respectively. The superior rate capability and cycling stability are ascribed to the better electronic conductivity and well-developed layered structure. In addition, the electrochemical reaction kinetics and capacity contributions were analyzed via cyclic voltammetry measurements at different scan rates

brucefan1983/GPUMD: GPUMD-v3.9.1

<ul> <li>Fixed a few bugs related to MTTK integrator and <code>replicate</code>, see #523 for details</li> <li>Improved the documentation</li> </ul&gt

brucefan1983/GPUMD: GPUMD-v3.9

<ul> <li>New features:<ul> <li>A new keyword <code>electron_stop</code> in <code>run.in</code> to apply electron stopping.</li> <li>A new keyword <code>compte_rdf</code> in <code>run.in</code> to compute the radial distribution function (RDF).</li> <li>A new keyword <code>mc</code> in <code>run.in</code> to perform effiicient MCMD simulations in canonical, semi-grand canonical, and variance-constraint semi-grand canonical ensembles with a NEP model (only).</li> <li>A new keyword <code>dftd3</code> in <code>run.in</code> to add the D3 correction to a NEP model (only).</li> <li>A new keyword <code>replicate</code> in <code>run.in</code> to replicate the initial model.</li> <li>A set of new <code>ensemble</code> options <code>npt_mttk</code>, <code>nph_mttk</code>, and <code>nvt_mttk</code>.</li> <li>A new keyword <code>ensemble ti_spring</code> for free-energy calculations using the nonequilibrium thermodynamic integration method.</li> <li>A new keyword <code>ensemble msst</code> for multi-scale shock technique (MSST) simulations.</li> <li>A new keyword <code>compute_lsqt</code> to compute the electronic transport properties by coupling MD and linear scaling quantum transport (LSQT).</li> <li>A new option <code>fire</code> for the keyword <code>minimize</code> in <code>run.in</code>.</li> <li>A new option <code>has_potential</code> for the keyword <code>dump_exyz</code> in <code>run.in</code>.</li> </ul> </li> </ul&gt

Nanoscaled Na₃PS₄ Solid Electrolyte for All-Solid-State FeS₂/Na Batteries with Ultrahigh Initial Coulombic Efficiency of 95% and Excellent Cyclic Performances

Nanosized Na₃PS₄ solid electrolyte with an ionic conductivity of 8.44 × 10^–5 S cm^–1 at room temperature is synthesized by a liquid-phase reaction. The resultant all-solid-state FeS₂/Na₃PS₄/Na batteries show an extraordinary high initial Coulombic efficiency of 95% and demonstrate high energy density of 611 Wh kg^–1 at current density of 20 mA g^–1 at room temperature. The outstanding performances of the battery can be ascribed to good interface compatibility and intimate solid–solid contact at FeS₂ electrode/nanosized Na₃PS₄ solid electrolytes interface. Meanwhile, excellent cycling stability is achieved for the battery after cycling at 60 mA g^–1 for 100 cycles, showing a high capacity of 287 mAh g^–1 with the capacity retention of 80%