A5062457127- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- Machine Learning in Materials Science
- X-ray Diffraction in Crystallography
- Security and Verification in Computing
- Advanced Battery Technologies Research
- Smart Grid Security and Resilience
- Advanced Malware Detection Techniques
- Network Security and Intrusion Detection
- X-ray Spectroscopy and Fluorescence Analysis
- Solid-state spectroscopy and crystallography
- Force Microscopy Techniques and Applications
- MXene and MAX Phase Materials
- Anomaly Detection Techniques and Applications
- Crystallization and Solubility Studies
- Inorganic Chemistry and Materials
- Environmental Impact and Sustainability
- Electron and X-Ray Spectroscopy Techniques
- Thermal Expansion and Ionic Conductivity
- Luminescence Properties of Advanced Materials
- Wastewater Treatment and Reuse
- Advanced Photocatalysis Techniques
- Aluminum Alloy Microstructure Properties
- Ammonia Synthesis and Nitrogen Reduction
- Case Reports on Hematomas
Jiangsu University
2023-2025
Universidad del Noreste
2013-2024
University of California, San Diego
2017-2021
Shell (Netherlands)
2020
Northeastern University
2015
Missouri University of Science and Technology
2007-2010
Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics reduced dimension and appealing applications. Systematic discovery of functional 2D has focus many studies. Here, we present large dataset materials, with more than 6,000 monolayer structures, obtained from both top-down bottom-up procedures. First, screened all bulk database Materials Project for layered structures by topology-based algorithm theoretically exfoliated them into...
Rechargeable solid-state sodium-ion batteries (SSSBs) hold great promise for safer and more energy-dense energy storage. However, the poor electrochemical stability between current sulfide-based solid electrolytes high-voltage oxide cathodes has limited their long-term cycling performance practicality. Here, we report discovery of ion conductor Na3-xY1-xZrxCl6 (NYZC) that is both electrochemically stable (up to 3.8 V vs. Na/Na+) chemically compatible with cathodes. Its high ionic...
We present an exposition of first-principles approaches to elucidating interfacial reactions in all-solid-state sodium-ion batteries. will demonstrate how thermodynamic approximations based on assumptions fast alkali diffusion and multispecies equilibrium can be used effectively screen combinations Na-ion electrodes, solid electrolytes, buffer oxides for electrochemical chemical compatibility. find that exchange reactions, especially between simple thiophosphate groups form PO43–, are the...
Enabling long cyclability of high-voltage oxide cathodes is a persistent challenge for all-solid-state batteries, largely because their poor interfacial stabilities against sulfide solid electrolytes. While protective coating layers such as LiNbO3 (LNO) have been proposed, its precise working mechanisms are still not fully understood. Existing literature attributes reductions in impedance growth to the coating's ability prevent reactions. However, true nature more complex, with cathode...
Metal-ion doping can improve the electrochemical performance of Na3V2(PO4)3. However, reason for enhanced and effects cation on structure Na3V2(PO4)3 have yet been probed. Herein, Mg2+ is doped into Na3V2(PO4)3/C according to first-principles calculation. The results indicate that prefers reside in V site an extra active Na+ introduced crystal maintain charge balance. distribution particle further studied by impedance spectroscopy. We find highest surface particles leads facile reactions...
Abstract X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison measured spectra reliable reference spectra. However, existing databases are highly limited both in terms the number available as well breadth chemistry coverage. In this work, we report development XASdb, large database computed XAS, an Ensemble-Learned...
In this work, we present a highly accurate spectral neighbor analysis potential (SNAP) model for molybdenum (Mo) developed through the rigorous application of machine learning techniques on large materials data sets. Despite Mo's importance as structural metal, existing force fields Mo based embedded atom and modified methods still do not provide satisfactory accuracy many properties. We will show that by fitting to energies, forces stress tensors density functional theory (DFT)-computed...
Phosphor-converted light emitting diodes (LEDs) are a highly efficient form of solid-state lighting. A key performance metric phosphor is its thermal quenching (TQ), which the percentage loss emission at elevated temperatures during operation. In this work, we unify two prevailing theories—the crossover and ionization mechanisms—into single predictive model for TQ. Using ab initio molecular dynamics (AIMD) simulations, demonstrate first time that TQ under mechanism related to local...
Redox-active organic molecules have attracted much attention as alternatives to transition-metal-based electrodes for lithium-ion batteries due their low cost and large abundance. However, the relatively cycling stability still prevents some of most promising be used electrodes. Herein, we 1,4,5,8-naphthalene diimide (NDI) a model molecule systematically investigate its intrinsic electrochemical property, including electrolyte compatibility, maximum capacity, stability, rate capability in...
Abstract All‐solid‐state sodium‐ion batteries are highly promising for next generation grid energy storage with improved safety. Among the known sodium superionic conductors, Na 3 PnS 4 family and recently discovered 11 Sn 2 12 (Pn = P, Sb) have garnered major interest due to their extremely high ionic conductivities. In this work, comprehensive investigation of ‐Na TtS P/As/Sb, Tt Si/Ge/Sn) phase space conductors using density functional theory calculations, as well AIMD simulations on new...
Significance High-resolution multipoint simultaneous structure–function analysis is becoming of great interest in a broad spectrum fields for deciphering multiscale dynamics, especially biophysics and materials science. However, current techniques are limited terms versatility, resolution, throughput, biocompatibility. Here, multifunctional imaging platform introduced that shows high sensitivity, minimum cross-talk, variety probe-based sensing. This demonstrated by parallel multiparametric...
Security in a Cyber-Physical System (CPS) is not well understood. Interactions between components the Cyber and Physical domains lead to unintended information flow. This paper makes use of formal flow models describe leakage model CPS, Cooperating FACTS Power System. Results show that while casual observer cannot ascertain confidential internal information, when application semantics, including timing, are considered, this confidentiality lost. Model checking used verify result. The...
In parallel with advances in the synthesis of solid-state ionic conductors, there is a need to understand underlying mechanisms behind their improved conductivities. This can be achieved by obtaining an atomic level picture interplay between structure materials and resultant diffusion processes. To this end, dynamics Mg2+-stabilized rotor phase material γ-Na3PO4, characterized neutron scattering, are detailed work. The found thermally stable from 4 650 K. However, signatures orientational...
The following text has been added to the Acknowledgements section: “L. F. J. P. acknowledges support from National Science Foundation (DMREF-1627583)”
The microstructure and texture evolution of the as-cast hot rolled grain-oriented silicon steel strips was investigated, precipitation inhibitors clarified. results showed that strip characterized by coarse columnar grains with strong {001}<0vw> fiber texture. composed ferrite pearlite gradually refined increasing rolling reduction. In strips, α γ textures were enhanced at expense initial Goss generated in surface sub-surface layer Besides, a great number dispersed MnS particles size...
To date there have been many studies of water system optimization which were focused on the use performance industrial, regional, and urban areas from a macro-perspective. However, colleges universities are rare, though amount consumption is huge in higher education institutions. We applied extended input–output model to investigate analyze Northeastern University. Results showed that at University 106.72 m3/year per capita; 74.44% total takes place dormitories other school buildings. In...
Wind power is an important type of renewable energy sources. In this passage we will apply Life Cycle Assessment to analyze the four stages wind generation，which are production raw materials, transportation, build-operate process plants and demolition stages, calculate consumption environmental impact, set a contrastive analysis between coal-fired plants. We take WangHaiSi Plant in Faku, Shenyang as example show difference two ways getting power. The shows that: comparison with generation,...
<p>Rechargeable solid-state sodium-ion batteries (SSSBs) hold great promise for safer and more energy-dense energy storage. However, the poor electrochemical stability between current sulfide-based solid electrolytes high-voltage oxide cathodes has limited their long-term cycling performance practicality. Here, we report discovery of...