Preferred Computational Chemistry, Inc.’s Post

🔬🚨Publication alert!🚨🔬 I am excited to announce the publication of our paper titled “Reversing the magnetization of 50-nm-wide ferromagnets by ultrashort magnons in thin-film yttrium iron garnet” in the Royal Society of Chemistry’s Nanoscale Horizons journal! 😄📚 📃Article link: https://lnkd.in/eJuabJEt We hope that the work helps to realize magnon-based neuromorphic computing and memory devices! 🔑 Key findings: - Non-volatile storage of ultrashort spin wave signals (wavelength ~100 nm) by switching Permalloy nanostripes down to 50 nm and at 25 micrometers away from the magnon excitation - Magnetization reversal of aperiodically arranged nanostripes with magnons propagating in YIG thin film I express my sincere gratitude towards my co-authors Korbinian Baumgärtl Andrea Mucchietto, Francis Berger and Prof. Dirk Grundler. I take this opportunity to highlight previous related works by my colleagues: 1. https://lnkd.in/eCvBymFg 2. https://lnkd.in/evrUZ_kA We thank Centre of MicroNanoTechnology (CMi), where the devices were fabricated and the former and current colleagues at LMGN, EPFL! The project is funded by Swiss National Science Foundation SNSF. 😄 Stay tuned for more of such works! 🧲🔬 Materials Science and Engineering at EPFL #science #research #magnonics #spinwaves #neuromorphic #computing #magnetism #memory

A recent paper by Daniel Babayode, Stena Peterson, and Prof. Louis Haber published in 𝘛𝘩𝘦 𝘑𝘰𝘶𝘳𝘯𝘢𝘭 𝘰𝘧 𝘊𝘩𝘦𝘮𝘪𝘤𝘢𝘭 𝘗𝘩𝘺𝘴𝘪𝘤𝘴 reports the 𝘪𝘯 𝘴𝘪𝘵𝘶 growth dynamics of colloidal silver–gold core–shell (Ag@Au CS) nanoparticles (NPs) using time-dependent second harmonic generation (SHG) and extinction spectroscopy. The study also monitored two-photon fluorescence during the CS growth, showing complementary information for comparisons to the extinction and SHG results. By utilizing 𝘪𝘯 𝘴𝘪𝘵𝘶 SHG spectroscopy, extinction spectroscopy, and Mie theory simulations, the study offers a comprehensive analysis of the complex growth dynamics at the nanoscale, contributing to the development of optimized plasmonic nanomaterials. Dive into the details and discover more > https://lnkd.in/gytDA2N6

Supreeth Nagendran, Clare Grey and colleagues prepared two new niobium tungsten bronze structures, NbWO5.5 and β-Nb2WO8 with microwave-assisted solution-based methods at 800°C. These adopt a simple tetragonal tungsten bronze (TTB) and a √2 × √2 TTB superstructure, respectively. Nb3WO10.5 with a structure closely related to β-Nb2WO8 was formed at higher Nb:W ratios. Nb:W ≥ 4 compositions result in two-phase behavior forming Nb2O5 and Nb3WO10.5, while W-rich bronzes (Nb:W < 1) exhibited local domains of WO3 within the NbWO5.5 lattice. Diffraction and electron microscopy analysis revealed cation ordering in the bronzes at different length scales. The microwave synthesis method produced microporous spheres, with the high-Nb-content phases showing promising high-rate capabilities and long cycle lives, making them suitable for energy-storage applications. The microwave-assisted solution method holds potential for synthesizing complex oxide materials across diverse applications. #Matter https://lnkd.in/eUXdqXfE

📢 Publication News! 📚🔬 We are pleased to present the latest paper titled "Exciton–Phonon Coupling in Single ZnCdSe-Dot/CdS-Rod Nanocrystals with Engineered Band Gaps from Type-II to Type-I" by Florian Johst, who has made significant strides in understanding the complexities of exciton–phonon coupling—a pivotal factor impacting the homogeneous emission line width in nanocrystals. In a comprehensive study, Florian employs single-particle spectroscopy on colloidal Zn1–xCdxSe/CdS and CdSe/CdS dot-in-rod nanocrystals at cryogenic temperatures (T ≈ 10 K). This innovative approach allows for the meticulous investigation of exciton–phonon interactions. One of the unique aspects of this research is the use of in situ cation exchange, enabling the evaluation of different band alignments and charge-carrier distributions. These variations are crucial for analyzing how the relative intensities of longitudinal optical S- and Se-type phonon replicas are influenced by the charge distribution within the nanocrystals. A noteworthy contribution of this work lies in the integration of experimental findings with quantum mechanical calculations within the effective mass approximation. These calculations reveal the significant of surface charges in affecting exciton–phonon coupling—a key insight for scientists aiming to manipulate these interactions for advanced photonic applications. For those interested in the theoretical and practical implications of this research, we invite you to explore the full article. https://lnkd.in/gV_sQiXF #Nanoscience #QuantumMechanics #MaterialsResearch #Nanocrystals #Photonics

Recent study introduces the "S-factor" metric for quantifying lithium plating during fast charging, utilizing voltage plateau analysis. It also employs situ visualization to understand graphite electrode behaviors. The research finds that electrodes with state of charge heterogeneity exhibit multiple voltage plateaus and more irreversible plating. Using S-factor and coulombic inefficiency aids in identifying zones for reversible plating, crucial for safe fast-charging algorithm development. Video microscopy helps in understanding lithiated graphite phases as distinctly different colors, enabling direct observation of the phase changes occurring in the sample. As the lithium content of graphite increases, the color turns from gray (C6) to blue (LiC24, stage 2L) to red (LiC12, stage 2) to gold (LiC6, stage 1). Study:https://lnkd.in/gp8EUm8y

We are thrilled to announce the publication of our latest paper in ACS Nano: "Direct Determination of Carrier Parameters in Indium Tin Oxide Nanocrystals." This collaborative effort involves our group members Mathieu Kociak, Xiaoyan LI, and esteemed colleagues Alessio Gabbani, Elisa Della Latta, Ananthakrishnan Mohan, Andrea Scarperi, Marina Ruggeri, Francesca Martini, Francesco Biccari, Marco Geppi, Silvia Borsacchi, and Francesco Pineider from Italy. Our research presents a groundbreaking methodology for independently determining charge carrier parameters—carrier density and mass—in plasmonic indium tin oxide (ITO) nanocrystals. In this work, our monochromated STEM CHROMATEM (Nion Company) is used in understanding the plasmonic response of individual ITO nanoparticles. Laboratoire de Physique des Solides (LPS) Read the full paper here: https://lnkd.in/ezG_f4fx

“Exciting research alert! 🌿🔬 Our latest study delves into the impact of Cu and Cr co-doping on the structural, magnetic, and dielectric properties of barium hexaferrites. What makes this study unique? We synthesized these ferrites in the presence of mentha leaves extract, exploring novel avenues in material science. Stay tuned for insights and discoveries that could revolutionize magnetic materials! DOI : https://lnkd.in/e-3w4q62 #Research #MaterialScience #Innovation #BariumHexaferrites #MenthaLeavesExtract”

📣 New preprint: "Molecular alloying drives valence change in a van der Waals antiferromagnet" (link below👇) 👉 By leveraging molecular alloying, we've discovered a novel mechanism to control valence changes in a layered metal-organic antiferromagnet. Specifically, by alloying aliovalent Cr(pyrazine)I2 and Cr(pyrazine)2Br2, we can switch between Cr(II) and Cr(III) states thermally, dramatically altering the materials’ magnetization and electrical conductivity by up to five orders of magnitude. This work establishes a new paradigm in the manipulation of (metal-organic) van der Waals crystals, where molecular alloying can drive complete and temperature-tunable valence change transitions from parent materials that do not display any valence change transition themselves. 👉 Check out our paper here: https://lnkd.in/dCMs9PBr and see lots of electron (#3D-ED, #microED), (high-pressure) X-ray, and neutron diffraction and spectroscopy, as well as magnetism and transport. DTU Chemistry

Until I saw it under scanning electron microscopy at DRDO lab on 2nd Sept 1999, it looked like simple carbon fibres....yes, talking about Fullerene, an allotrope of carbon with amazing properties. ................................................................................................................................ Fullerene, a spheroidal carbon molecule with unique structural properties. This molecule, composed of 20 triangular equilateral faces with 12 apices, closely resembles a soccer ball. Fullerene, first discovered in 1984 by Harry Kroto and Richard Smalley at Rice University, exhibits a face-centered cubic lattice with a lattice parameter of a = 14.17 ± 0.001 Å and van der Waals space of 2.9 Å. The high symmetry of the Fullerene molecule simplifies its 13C-nuclear magnetic resonance spectrum and infrared absorption spectrum. Doping Fullerene with a metal can lead to superconducting phases at temperatures below 18 K. Functionalization processes such as reduction, oxidation, alkylation, and metal complex formation are well-known. Heating Fullerene at high pressures and temperatures induces polymerization, forming intermolecular bonds and creating a three-dimensional phase harder than diamond. The characteristics of Fullerene are so akin to graphite that the molecules are hollow, allowing them to form inclusion derivatives. Explore the versatility and unique properties of Fullerene in the realm of carbon molecules. #Fullerene #CarbonMolecule #Innovation #Research #ScienceDiscovery

📢 To the mysteries of binary ferroelectrics Binary ferroelectric materials - wurtzites and fluorites - are really fascinating systems. First, they are (potentially) useful as materials compatible with classical semiconductor fabrication workflows. However, they also have very high coercive fields and tend to demonstrate a broad set of macroscopic and local phenomena that are absent (or very rare) in classical ferroelectrics. The hypothesis that Anna Morozovska and my team have been exploring for the last 8 years is that the coupling between bulk ferroelectric phenomena and surface/interface electrochemistry in these materials has to be much stronger then in normal materials, e.g. ferroelectric switching is essentially the change in surface termination. In this manuscript, we analyze the phenomena in the hafnia nanoparticle including the phase and domain structure evolution and effect on the properties of material made from such particles. Very interesting (and not altogether predictable) set of phase transitions and property evolution. https://lnkd.in/eP9kCP24