Interfacial degradation of PEO-based polymer electrolytes on the NMC cathode and CEI components prediction.

All-solid-state Li-metal batteries using solid polymer electrolytes (SPEs) in combination with high-voltage cathodes such as lithium nickel manganese cobalt oxide (NMC) promise enhanced battery safety, energy density, and flexibility. However, understanding the oxidative decomposition of SPEs on the cathode surfaces and characterizing the resulting cathode-electrolyte interphase (CEI) remain challenging both experimentally and computationally. This study introduces a new computational protocol based on ab initio molecular dynamics for simulating the decomposition of PEO:LiTFSI SPE on the NMC-811 cathode surface using a combined electron- and Li+-removal simulation approach.

Multifunctional Zwitterionic Self-Healing Polymer Electrolytes for Anode-Free Lithium-Metal Batteries: a Computational Perspective.

The practical application of anode-free lithium-metal batteries (AFLMBs) is limited by their poor cycling performance and unstable solid electrolyte interphase (SEI). Self-healing solid polymer electrolytes (SHSPEs) offer excellent flexibility and healing capabilities, which are expected to mitigate dendrite growth and improve AFLMB cycling performance. In this study, a novel zwitterionic SHSPE, P(SBMA-co-BA):LiTFSI, is proposed, and its suitability for AFLMBs is evaluated through density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations.

Enhancing Anode-Free Battery Performance with Self-Healing Single-Ion Conducting PAMPS--PBA Copolymer Interfaces.

The design of anode-free batteries presents an attractive approach to the lithium metal battery. However, challenges such as uneven plating of lithium and poor Coulombic efficiency limit their commercially viable applications. In response to these challenges, this study introduces poly{(2-acrylamido-2-methylpropanesulfonic acid)--(butyl acrylate)} (PAMPS--PBA), an artificial interface engineered to enhance the cyclic stability of batteries by fortifying the solid electrolyte interphase (SEI) and enabling self-healing and single-ion conductivity.

Enhancing optical absorbance and accelerating rotational speed in molecular motors through oriented external electric fields.

Accelerating the rotational speed of light-driven molecular motors is among the foremost concerns in molecular machine research, as this speed directly influences the performance of a motor. Controlling the motor's rotation is crucial for practical applications, and using an oriented external electric field (OEEF) represents a feasible method to achieve this objective. We have investigated the impact of an OEEF on the optical and kinetic properties of a novel π-donor/acceptor di-substituted molecular motor, R2,3-(NH2, CHO).

Initial SEI formation in LiBOB-, LiDFOB- and LiBF-containing PEO electrolytes.

A limiting factor for solid polymer electrolyte (SPE)-based Li-batteries is the functionality of the electrolyte decomposition layer that is spontaneously formed at the Li metal anode. A deeper understanding of this layer will facilitate its improvement. This study investigates three SPEs - polyethylene oxide:lithium tetrafluoroborate (PEO:LiBF), polyethylene oxide:lithium bis(oxalate)borate (PEO:LiBOB), and polyethylene oxide:lithium difluoro(oxalato)borate (PEO:LiDFOB) - using a combination of electrochemical impedance spectroscopy (EIS), galvanostatic cycling, Li deposition photoelectron spectroscopy (PES), and molecular dynamics (AIMD) simulations.

A method for modelling polymer electrolyte decomposition during the Li-nucleation process in Li-metal batteries.

Elucidating the complex degradation pathways and formed decomposition products of the electrolytes in Li-metal batteries remains challenging. So far, computational studies have been dominated by studying the reactions at inert Li-metal surfaces. In contrast, this study combines DFT and AIMD calculations to explore the Li-nucleation process for studying interfacial reactions during Li-plating by introducing Li-atoms close to the metal surface.

[Exploration on the spectrum of disease and acupoints in post-stroke disorder treated with acupuncture and moxibustion on the basis of data mining technology].

Objective: Data mining technology is used to analyze the spectrum of disease and acupoints in the treatment of post-stroke disorder with acupuncture and moxibustion in modern times.

Methods: The literature resources are formulated, the name of disease and acupoint are standardized, the spectrum of acupuncture for disease that post-stroke disorder belonged to and their genealogical classification are collected, the spectrum of acupoints in the treatment of post-stroke disorder are summarized.

Results: Totally, 652 modern clinical research papers are collected, including 9 classification systems in ICD-10 and 40 diseases; 143 nonacupoints are used and the application frequency are 737; 253 acupoints are used and the application frequency are 5395.

[Exploration on the characteristics of meridian points in the treatment of post-stroke disorder with acupuncture and moxibustion based on the data mining technology].

Using data mining technology to analyze the application characteristics and laws of the meridian points in the treatment of post-stroke disorder with acupuncture and moxibustion in modern times. On the basis of the collection of the modern literatures about the treatment of post-stroke disorder with acupuncture and moxibustion, the database of acupuncture-moxibustion prescription was established. The relevance rule method in the data mining technology was mainly adopted to analyze the application characteristics and laws of the meridian points in the treatment of post-stroke disorder with acupuncture and moxibustion.

Bedside ultrasonography as a safe and effective tool to diagnose acute epiglottitis.

Acute epiglottitis is a true airway emergency in the emergency department (ED). The patient may appear very toxic and rapidly progress to respiratory distress and life-threatening condition. The inflammatory process includes not only epiglottis but also the rest of the supraglottic area including the vallecula, aryepiglottic folds, and arytenoids.