Sergei Kalinin

Congrats to Prof. Del Gado and her group for the article and cool cover image in the high-impact journal ACS Nano! Read about their discovery of the connection between topology and mechanics in soft gels here https://lnkd.in/e4EPq5pX

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Bridging Chemistry and Physics on the Path to New Materials: Check out five questions with CEC's Director Michael Rose in this post by CNS: https://lnkd.in/gwDAPsYk

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*****New Publication Alert ***** New paper in the American Chemical Society’s #ACSEnergyLetters journal. “Electron-Donating or -Withdrawing Groups of Carbonate Solvent on Lithium-Ion (De-)intercalation Chemistry”. Cyclic carbonate solvents have been extensively utilized as cosolvents and/or additives in formulating electrolytes for lithium-ion batteries. However, their application often relies on empirical knowledge, lacking a universally applicable perspective to elucidate how different functional groups in cyclic carbonates affect battery performance. Herein, by focusing on the substituted functional group at the α-H in the ethylene carbonate (EC) solvent, it is discovered that solvents containing electron-withdrawing groups (e.g., −F) enable reversible Li+ (de)intercalation in graphite electrodes, while those with electron-donating groups (e.g., −CH3, −CH2CH3) may lead to Li+-solvent co-intercalation. Furthermore, solvents with electron-withdrawing groups can help the electron-donating groups achieve Li+ (de)intercalation, whereas the reverse is not feasible. These phenomena are elucidated through intermolecular interactions, characterized by 2D 1H–19F heteronuclear Overhauser enhancement spectroscopy, revealing interactions between electron-withdrawing and -donating groups in the electrolyte solvation structure. This study offers insights into the roles of electron-donating or -withdrawing groups in electrolyte formulations. https://lnkd.in/g2fKCjip Stay tuned for more exciting news from the School of Physical Sciences at Jawaharlal Nehru University, New Delhi, India. #SPS #JNU #SPSJNU #LiionBattery #Cathode #Anode #Electrolyte #ElectrolyteAdditives #ElectrolyteMicrostructures #Cycliccarbonatesolvents #InterMolecularInteraction #electrondonating #electronwithdrawinggroups #EnergyStorage #Batteries #heteronuclearOverhauserenhancementspectroscopy #desolvationkinetics #solventsolventinteractions #Lisolventanioninteractions #ElectrolyteSolvationChemistry #InterfacialModel #ACS #AmericanChemicalSociety #ACSEnergyLetters Jawaharlal Nehru University Dr. Prashant Tripathi Avinash Rundla Divya Rani Raghuvanshi Shivani Bharti Priyanka .

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Sign-up for AIP Topical Alerts: https://lnkd.in/eiU3t6-n Here are some of my #PlasmaPhysics alerts for August, with articles from Physics of Plasmas, Physics Today, The Physics Teacher, Review of Scientific Instruments, Journal of Applied Physics, Matter and Radiation at Extremes, Physics of Fluids, AIP Advances, and Scilight.

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Vertical stacking of two-dimensional materials with weak van der Waals (vdW) interactions has enabled breakthroughs in both physics and technology. In studying heterobilayers of transition-metal dichalcogenides, researchers found two mechanisms affecting the band gaps of vdW heterostructures beyond the Anderson rule. Interfacial hybridization decreases the band gap by shifting the valence band maxima, while the formation of an interfacial electric dipole increases the effective gap in type-II junctions. https://lnkd.in/dMGgZpWJ

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Our new perspective in American Chemical Society ACS Nano. This article was written as part of the 2023 ACS Nano Lectureship award and reflects my views expressed in the lecture. Led by postdocs Seunguk Song and Dr. Mahfujur Rahaman. Penn Engineering Electrical and Systems Engineering at Penn #nanotechology #electronics #semiconductors #2Dmaterials #photonics #optoelectronics #nanomaterials Can 2D Semiconductors Be Game-Changers for Nanoelectronics and Photonics ? https://lnkd.in/eQuumMam

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New Article Alert: “High Voltage Electrolyte Design Mediated by Advanced Solvation Chemistry Toward High Energy Density and Fast Charging Lithium-Ion Batteries” @Advanced Energy Materials. https://lnkd.in/gfSMjiwC Electrolyte is critical for transporting lithium-ion (Li+) in lithium-ion batteries (LIBs). However, there is no universally applicable principle for designing an optimal electrolyte. In most cases, the design process relies on empirical experiences and is often treated as highly confidential proprietary information. In the article, a solvation structure-related model for the quantitative design of electrolytes is introduced, focusing on the principles of coordination chemistry. As a paradigmatic example, a high-voltage electrolyte (i.e., 4.5 V vs anode) aimed at achieving a high energy density and fast charging LIB, which is specifically composed of an emerging, well-constructed hybrid hard carbon-silicon/carbon-based anode, and lithium cobalt oxide cathode, is developed. Not only the functions of each electrolyte component at the molecular scale within the Li+ solvation structure are analyzed but also an interfacial model is introduced to elucidate their relationship with the battery performance. This study represents a pioneering effort in developing a methodology to guide electrolyte design, in which the mutual effects of the Li+ de-solvation process and solid electrolyte interface (SEI) on the electrode surface are explored concurrently to understand the root cause of superior performance. The innovative approach presented in the paper, establishes a new paradigm in electrolyte design, providing valuable insights at the molecular level. Jawaharlal Nehru University (JNU) #jnu #sps #spsjnu #materialscience #materials #materialtesting #physics #liionbattery #battery #batteries #batterytechnology #highvoltagebattery #highperformance #solvationstructure #fullbattery #highvoltageelectrolyte #liion #rechargeable #highenergydensity #fastcharging #SEI #CEI

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In this #MRSEnergyJournal article, the authors investigate the absorption effects of three refractory nitride materials for #SolarEnergy harvesting. The proposed design is insensitive to variation of the incident angle and polarization. https://rdcu.be/dN0qN

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A Nature Photonics study presents a modular and universal quantum-to-quantum Bernoulli factory using an integrated photonic processor. The research demonstrates how photonic-path-encoding can manipulate randomness in quantum states, offering new avenues for integrated quantum technologies. Citation: Figure 3 from Hoch, F., Giordani, T., Castello, L. et al. Modular quantum-to-quantum Bernoulli factory in an integrated photonic processor. Nat. Photon. (2024). https://lnkd.in/gAkTyEiY

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An article by Dr. Hyunsoo Kim, assistant professor of physics, has been featured in a commentary in the prestigious Nature Physics journal. https://lnkd.in/dDgArzND "Now, Hyunsoo Kim and colleagues have demonstrated superconductivity below 5.4 K in a lab-grown sample of Rh17S15 (pictured), which is also found in nature as the mineral miassite (H. Kim et al. Commun. Mater. 5,17; 2024). Interestingly, the superconducting properties of this compound are quite different from those seen in most of the known superconductors."

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🔬 Exciting Breakthrough in Materials Science! The AIM EFRC center sponsored by U.S. Department of Energy (DOE) of Energy (DOE) sponsored is proud to share our latest publication in Advanced Materials, where we introduce a groundbreaking approach to enhancing the thermal performance of hexagonal boron nitride (hBN) platelets. 📑 Research Highlights: Our study employed a novel sequential dual-alignment method combining extrusion-printing-induced shear force and rotating-magnetic-field-induced force couple. This technique significantly improved the planar alignment of 2D modified hBN platelets, leading to a remarkable 692% increase in thermal conductivity compared to unaligned composites. 🧬 Research Hypothesis: We hypothesized that the partial alignment induced by a directional shear force facilitates the subsequent axial rotation of the platelets for planar alignment under an external force couple, resulting in a synergistic alignment effect. 🔗 Read the full paper here: Sequential Dual Alignments Introduce Synergistic Effect on Hexagonal Boron Nitride Platelets for Superior Thermal Performance https://lnkd.in/gFKUyupA This innovative approach not only paves the way for more efficient thermal management materials but also demonstrates the Material-Process-Microstructure-Performance (MP2) relationships (Research Thrust III) for other applications in electronics and beyond. A big thank you to all collaborating institutions University of Florida (Yong Huang, Yunxia Chen, Benjamin Ryder) with support from Pacific Northwest National Laboratory (Kevin Simmon) and Savannah River National Laboratory (Dale Hitchcock) and researchers involved in making this study a success! #MaterialScience #Innovation #Research #ThermalManagement #hBN #Engineering #UDel #BlueHensForever #Hengineers

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Cutting-Edge Raman Spectroscopy Applied for Forensic and Heritage Studies A new compilation in the Journal of Raman Spectroscopy highlights advanced Raman spectroscopy techniques, showcasing their transformative applications in forensic and cultural heritage fields. These approaches include mobile setups, enhanced optics, and sophisticated data treatment methods. https://lnkd.in/g7w6mxiX

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Tuesday publication update! 📖 With this newest published research atomic-scale mechanisms were observed on 2D materials using our #FusionAX system! The authors imaged, atom-by-atom, the thermally induced structural evolution of twisted bilayer transition metal dichalcogenides using in situ transmission electron microscopy. 🔥 The authors used short 0.5-s heat pulses from 100° to 1000°C and took STEM images in between to reduce thermal drift. It was observed at low temperatures that the moiré superlattices morphed into nanoscale aligned domains. It was observed that this process started by nucleating a new grain within one monolayer, its crystal orientation intricately templated by the other. 🔬Unexpectedly, the aligned domains grow through a mesmerizing dance of collective rotation of moiré supercells and the graceful hopping of 5|7 defect pairs at moiré boundaries. These observations offer unprecedented mechanistic insight into the atomic-scale interactions that govern moiré structures, illuminating the potential to pattern interfacial structure and properties of two-dimensional materials at the nanoscale. 📈These research results can be correlated to inconsistent and heterogeneous properties measured in moiré based devices. This can then lead to new synthesis, bottom-up routes, designing structures to control and pattern the twist angle on the nanoscale. Want to read the entire research paper? Find it here! https://hubs.li/Q02tVHw50 #Protochips #FindYourBreakthrough #InSituMicroscopy #ElectronMicroscopy #MaterialsScience #AtomicScaleInsights

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In 2018, we published an interesting theoretical study based on DFT calculations on the atom-level evolution of the physical and chemical properties of transition-metal dichalcogenide (TMD) nanoflakes, which is a key step to improve our knowledge of two-dimensional (2D) TMD materials, which can help in the designing of new 2D materials. The calculations were performed for the (MoQ2)n nanoflakes, where Q = S, Se, and Te and n = 1–16. https://lnkd.in/d6KW6jQN

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This article describes a study on a novel electride, K(NH₃)₂, which exhibits a quasi-2D spin-Peierls transition influenced by interstitial anionic electrons. Researchers from Nanjing University utilized advanced crystal structure prediction and first-principles calculations to explore this material under moderate pressures. They discovered that electron-phonon interactions and electron-electron correlations in this material could lead to unique quantum phenomena such as zigzag-type anti-ferromagnetism and lattice dimerization under higher pressures, suggesting potential applications in magnetic interactions and charge density wave exploration. For more details, you can read the full article on Phys org here: https://lnkd.in/evRbWP2r

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🚨 New publication alert! A recent paper by final-year PhD student Xinjie Guan, A/Prof. Chris Menictas and Prof. Maria Skyllas-Kazacos, discusses the development of an advanced electrochemical stack model for the MV/TEMPTMA aqueous organic flow battery. The model can predict battery performance over multiple cycles, considering ion diffusion and degradation effects. This research makes significant advancements in large-scale, low-cost energy storage solutions and can be adapted for other non-mixing aqueous organic flow batteries. The paper was published in Applied Energy (IF: 10.1). Read it here: https://lnkd.in/gpyiFFcV

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1. Our new electron-propagator methods developed at Auburn University calculate electron binding energies of open-shell molecules, atoms and ions within 0.1 eV accuracy. 2.This article provides very useful and expert recommendations to computational and experimental practitioners who utilize or would like to use the new methods to interpret or predict photoelectron spectra. 3. We considered all fundamental electron transfer processors that occur in molecules, atoms, and ions such as ionization energies, electron affinities, electron detachments energies of anions, and electron attachment energies of cations. 4. The new methods do not contain any adjustable or empirical parameters in their formulas; they are very fast and highly accurate than their widely used predecessors. 5. Hence, results from these calculations are very easy to interpret which facilitates spectral assignment and interpretations. 6. The resulting Dyson orbitals also provide very useful qualitative insights that are easily interpreted based on familiar chemical concepts. Enjoy! #Science #Chemistry #CompChem #CASFutureLeader https://lnkd.in/eyzvZznn

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Our latest article in ACS Applied Energy Materials:

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