A5043815075- Advancements in Battery Materials
- Advanced Battery Materials and Technologies
- X-ray Diffraction in Crystallography
- Inorganic Fluorides and Related Compounds
- Extraction and Separation Processes
- Solid-state spectroscopy and crystallography
- Iron oxide chemistry and applications
- Crystal Structures and Properties
- Advanced Battery Technologies Research
- Chemical Synthesis and Characterization
- Radioactive element chemistry and processing
- Machine Learning in Materials Science
- Supercapacitor Materials and Fabrication
- Semiconductor materials and devices
- Electron and X-Ray Spectroscopy Techniques
- Advanced X-ray Imaging Techniques
- Advanced Condensed Matter Physics
- Thermal and Kinetic Analysis
- Ferroelectric and Piezoelectric Materials
- Molten salt chemistry and electrochemical processes
- Inorganic Chemistry and Materials
- X-ray Spectroscopy and Fluorescence Analysis
- Advanced battery technologies research
- Nuclear materials and radiation effects
- Mine drainage and remediation techniques
Argonne National Laboratory
2016-2025
Advanced Photonix (United States)
2015-2021
Advanced Photon Source
2015-2021
Tianjin Normal University
2021
Sorbonne Université
2015-2019
PHENIX laboratory
2019
Réseau sur le Stockage Electrochimique de l'énergie
2019
Université de Picardie Jules Verne
2019
University of California, Los Angeles
2017
Centre National de la Recherche Scientifique
2015
The absence of a phase transformation involving substantial structural rearrangements and large volume changes is generally considered to be key characteristic underpinning the high-rate capability any battery electrode material. In apparent contradiction, nanoparticulate LiFePO4, commercially important cathode material, displays exceptionally high rates, whereas its lithium-composition diagram indicates that it should react via kinetically limited, two-phase nucleation growth process....
Mg batteries are an attractive alternative to Li-based energy storage due the possibility of higher volumetric capacities with added advantage using sustainable materials. A promising emerging electrolyte for is magnesium aluminum chloride complex (MACC) which shows high electrodeposition and stripping efficiencies relatively anodic stabilities. As prepared, MACC inactive respect deposition; however, efficient can be achieved following electrolytic conditioning process. Through use Raman...
Operando pair distribution function (PDF) analysis and ex situ 23Na magic-angle spinning solid-state nuclear magnetic resonance (MAS ssNMR) spectroscopy are used to gain insight into the alloying mechanism of high-capacity antimony anodes for sodium-ion batteries. Subtraction PDF crystalline NaxSb phases from total PDF, an approach constrained by chemical phase information gained ssNMR in reference relevant model compounds, identifies two previously uncharacterized intermediate species...
This article presents a versatile easy-to-use electrochemical cell suitable for in operando , situ measurements of battery materials during cycling using variety X-ray techniques. Argonne's multi-purpose (AMPIX) provides reliable over extended periods owing to the uniform stack pressure applied by rigid windows and formation high-fidelity hermetic seal. The suitability AMPIX broad range synchrotron-based scattering spectroscopic has been demonstrated with studies at eight Advanced Photon...
Through operando synchrotron powder X-ray diffraction (XRD) analysis of layered transition metal oxide electrodes composition LiNi0.8Co0.15Al0.05O2 (NCA), we decouple the intrinsic bulk reaction mechanism from surface-induced effects. For identically prepared and cycled stored in different environments, demonstrate that for pristine NCA follows solid-solution mechanism, not a two-phase as suggested previously. By combining high resolution diffraction, diffuse reflectance infrared Fourier...
Vanadium sulfide VS4 in the patronite mineral structure is a linear chain compound comprising vanadium atoms coordinated by disulfide anions [S2](2-). (51)V NMR shows that material, despite having V formally d(1) configuration, diamagnetic, suggesting potential dimerization through metal-metal bonding associated with Peierls distortion of chains. This supported density functional calculations, and also consistent observed alternation V-V distances 2.8 3.2 Å along Partial lithiation results...
The alloying mechanism of high-capacity tin anodes for sodium-ion batteries is investigated using a combined theoretical and experimental approach. Ab initio random structure searching (AIRSS) high-throughput screening species-swap method provide insights into range possible sodium–tin structures. These structures are linked to experiments both average local probes in the form operando pair distribution function analysis, X-ray diffraction, 23Na solid-state nuclear magnetic resonance...
Nanoparticle LiFePO4, the basis for an entire class of high power Li-ion batteries, has recently been shown to exist in binary lithiated/delithiated states at intermediate charge. The Mn-bearing version, LiMnyFe1–yPO4, exhibits even higher rate capability as a lithium battery cathode than LiFePO4 comparable particle size. To gain insight into cause(s) this desirable performance, electrochemically driven phase transformation during charge and discharge nanoscale LiMn0.4Fe0.6PO4 three...
In-depth analysis of operando X-ray pair distribution function (PDF) data is combined with Li NMR spectroscopy to gain comprehensive insights into the electrochemical reaction mechanism high-performance iron oxyfluoride electrodes. While full discharge capacity could be recovered upon charge, implying reversibility reaction, atomic structure electrode formed after cycling (discharge–charge) differs from pristine uncycled material. Instead, "active" that forms a nanocomposite an amorphous...
The large-voltage hysteresis remains one of the biggest barriers to optimizing Li/Na-ion cathodes using lattice anionic redox reaction, despite their very high energy density and relative low cost. Very recently, a layered sodium cathode Na2Mn3O7 (or Na4/7Mn6/7□1/7O2, □ is vacancy) was reported have reversible oxygen with much suppressed voltage hysteresis. However, structural electronic origin this small-voltage has not been well understood. In article, through systematic studies ex situ/in...
Metallic germanium is a promising anode material in secondary lithium-ion batteries (LIBs) due to its high theoretical capacity (1623 mAh/g) and low operating voltage, coupled with the diffusivity electronic conductivity of lithiated Ge. Here, lithiation mechanism micron-sized Ge anodes has been investigated X-ray diffraction (XRD), pair distribution function (PDF) analysis, in-/ex-situ high-resolution 7Li solid-state nuclear magnetic resonance (NMR), utilizing structural information...
ADVERTISEMENT RETURN TO ISSUEPREVViewpointNEXTBest Practices for Operando Battery Experiments: Influences of X-ray Experiment Design on Observed Electrochemical ReactivityOlaf J. Borkiewicz, Kamila M. Wiaderek, Peter Chupas, and Karena W. Chapman*View Author Information Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, United States*E-mail: [email protected]. Phone: 1-630-252-0127. Fax: 1-630-252-0365.Cite this: Phys. Chem. Lett. 2015, 6, 11,...
Fast-ion conductors are critical to the development of solid-state batteries. The effects mechanochemical synthesis that lead increased ionic conductivity in an archetypical sodium-ion conductor Na3PS4 not fully understood. We present here a comprehensive analysis based on diffraction (Bragg and pair distribution function), spectroscopy (impedance, Raman, NMR INS), ab initio simulations aimed at elucidating synthesis-property relationships Na3PS4. consolidate previously reported...
The capacity degredation in layered Ni-rich LiNixCoyMnzO2 (x ≥ 0.8) cathode largely originated from drastic surface reactions and intergranular cracks polycrystalline particles. Herein, we report a highly stable single-crystal LiNi0.83Co0.12Mn0.05O2 material, which can deliver high specific (∼209 mAh g-1 at 0.1 C, 2.8-4.3 V) meanwhile display excellent cycling stability (>96% retention for 100 cycles >93% 200 cycles). By combination of situ X-ray diffraction pair distribution function...
The presence of oxyanions, such as nitrate (NO3–) and phosphate (PO43–), regulates the nucleation growth goethite (Gt) hematite (Hm) during transformation ferrihydrite (Fh). Our previous studies showed that oxyanion surface complexes control rate pathway Fh to Gt Hm. However, how mechanism Hm is still unclear. We used synchrotron scattering methods cryogenic transmission electron microscopy investigate effects NO3– outer-sphere PO43– inner-sphere on formation from Fh. TEM results indicated...
Abstract Serpentine minerals have received a lot of attention because their unique crystal structures, wide occurrence in orogenic belts and potential role contributing seismic anisotropy subducting slabs. Several studies investigated preferred orientation (CPO) high temperature antigorite serpentinites from Japan, the Alps, Spain, Cuba Tibet, documenting significant alignment. However, only limited number lower grade serpentines been explored to date. Mainly submicroscopic microstructural...
Oxygen deficient mesoporous cobaltites synthesized using nanocasting technique show high OER activity and surface modifications induced by potential cycling.
An investigation of the electrochemical and structural properties layered P2–Na0.62Mn0.75Ni0.25O2 is presented. The effect changing Mn/Ni ratio (3:1) from what found in Na0.67Mn0.67Ni0.33O2 (2:1) consequently introduction a third metal center (Mn3+) was investigated. X-ray powder diffraction (in situ ex situ) revealed lack Na+-ion/vacancy ordering at relevant sodium contents (x = 0.33, 0.5, 0.67). Mn3+ Na0.62Mn0.75Ni0.25O2 introduces defects into Ni–Mn interplane charge order that turn...
Anatase TiO2 is a potential negative electrode for sodium-ion batteries. The sodium storage mechanism is, however, still under debate, yet its comprehension required to optimize the electrochemical properties. To clarify occurring in anatase, we have used both and chemical routes from which obtained similar trends. During first discharge, an irreversible plateau region observed corresponds insertion of Na+ within interstitial sites anatase accompanied by drastic loss long-range order as...
Sulfur cathodes in conversion reaction batteries offer high gravimetric capacity but suffer from parasitic polysulfide shuttling. We demonstrate here that transition metal chalcogels of approximate formula MoS3.4 achieve a close to 600 mAh g–1 (close 1000 on sulfur basis) as electrode materials for lithium-ion batteries. Transition are amorphous and comprise chains connected by inorganic linkers. The linkers appear act "glue" the prevent Mo function electrodes carbonate- ether-based...
The nature of the interface between solute and solvent in a colloidal solution has attracted attention for long time. For example, surface nanocrystals (NCs) is specially designed to impart stability variety polar nonpolar solvents. This work focuses on special type colloids where molten inorganic salt or organic ionic liquid. such hard rationalize because solvents with high density mobile charges efficiently screen electrostatic double-layer repulsion, purely salts represent an extreme case...
In this work, we demonstrate the stable cycling of more than one Li in solid-state-synthesized ε-LiVOPO4 over 20 cycles for first time. Using a combination density functional theory (DFT) calculations, X-ray pair distribution function (PDF) analysis and absorption near edge structure (XANES) measurements, present comprehensive thermodynamics, kinetics, structural evolution ε-LixVOPO4 entire lithiation range. We identify two intermediate phases at x = 1.5 1.75 low-voltage regime using DFT...
Alkali ion intercalation compounds used as battery electrodes often exhibit first-order phase transitions during electrochemical cycling, accompanied by significant transformation strains. Despite ∼30 years of research into the behavior such compounds, relationship between strain and electrode performance, especially rate at which working ions (e.g., Li) can be intercalated deintercalated, is still absent. In this work, we use LiMnyFe1–yPO4 system for a systematic study, measure using...