Aram Bugaev 's experimental session at the ESRF - The European Synchrotron , check it out!
At your very first lecture on EXAFS you are taught that it is applicable to any aggregation state. Yet, in 99% of studies, it's utilized for powders. This week at BM23 beamline of ESRF - The European Synchrotron, we showed that EXAFS and LIQUID CHEMISTRY can make a good couple. A deep look into homogeneous catalysis using X-ray eyes. #BM23 #Synchrotron #EXAFS #Chemistry #Research
📚 Excited to share the publication of my #PhDThesis! 🌟In this work, I studied the mechanism and active phase of CO2 hydrogenation to methanol on metal-promoted In2O3, with a focus on Ni. Most grateful to my supervisors Emiel J. M. Hensen and Ivo A. W. Filot for helping me shape up this book to top quality. 🔗 https://lnkd.in/eDRFuGNn #Catalysis #Research #in2o3 #microkinetics #dft #phd 🎓🔬
🔬 CRC SMART Reactors at the "57. Jahrestreffen Deutscher Katalytiker" Our consortium members Professor Raimund Horn and PhD candidate Diego Espinoza from the Institute of Chemical Reaction Engineering at Hamburg University of Technology introduced new methods for intra-reactor diagnostic measurements at the DECHEMA conference in Weimar. The topic of Diego´s poster was "Spatially Resolved Elemental Analysis of Catalysts in a Fixed-Bed Reactor by Laser-Induced Breakdown Spectroscopy (LIBS) ". The goal of the research is to introduce a novel characterization technique in the field of heterogeneous catalysis. LIBS has the potential to provide insight into the distribution of promotors, poisons, and active metals, which are key elements commonly found in industrial catalysts. In an oral presentation “Iso-potential Operando DRIFTS: Measuring Adsorbate Profiles inside Catalytic Reactors”, Raimund Horn presented a novel concept to perform Operando spectroscopy inside catalytic reactors. This new concept opens the possibility to couple a variety of spectroscopic and microscopic methods (e.g. DRIFTS, XRD, EPR, UV/Vis, Fluorescence, XAS, SEM, TEM) in an optimized way with catalytic reactors of arbitrary shape and size. Congratulations on the successful research and exciting results! #SMARTreactors #TUHH #Technischistdasmöglich #TUHamburg #engineeringtofaceclimatechange #LIBS #IsoPotential REACNOSTICS GmbH
A special session dedicated to the Advanced X-ray techniques and related modern applications such as aerosol metrology and thin layer characterization will be organized by the European X-ray Spectrometry Association within the frame of IMA2023 #conference #ima2023 #chania #crete #science #analyticalchemistry #chemistry
In our recent publication in the journal *𝙀𝙡𝙚𝙘𝙩𝙧𝙤𝙘𝙝𝙚𝙢𝙞𝙨𝙩𝙧𝙮 𝘾𝙤𝙢𝙢𝙪𝙣𝙞𝙘𝙖𝙩𝙞𝙤𝙣𝙨*, we had the pleasure of presenting a breakthrough that bridges the fields of 𝘤𝘩𝘦𝘮𝘪𝘤𝘢𝘭 𝘦𝘯𝘨𝘪𝘯𝘦𝘦𝘳𝘪𝘯𝘨 and 𝘦𝘭𝘦𝘤𝘵𝘳𝘰𝘤𝘩𝘦𝘮𝘪𝘴𝘵𝘳𝘺. By introducing an innovative dimensionless number, our study compares the residence time of an electro-active species in a micro-channel reactor with the potential sweep time. This approach reveals a continuity between cyclic voltammetry and linear sweep voltammetry answers, thus offering new insights into how these techniques can be interpreted and utilized together. This discovery is akin to navigating in distinct waters for years, only for the fields of chemical engineering and electrochemistry to find a common language. It opens new pathways for interdisciplinary research. ⚡ We invite you to explore how this cross-disciplinary interaction enriches our scientific understanding by reading our article, available here: https://lnkd.in/gmnsaz5x. This work is an example of how research can benefit from a holistic approach, merging knowledge from different fields to explore new horizons. with Cheikhou Kane Fabien Chauvet Laure Latapie Theodore Tzedakis & Laboratoire de Génie Chimique Toulouse / Chemical Engineering Research Center of Toulouse
✂️ Clip off and rearrange! 🔬 Scientists at the ICN2 developed a groundbreaking technique for creating new metal-organic framework materials by selective bond breaking. Link to news article in the first comment. 🧩 The authors used the same approach as in their ‘Clip-Off Chemistry’. #MaterialsScience #clipoff 🔍 This innovative process leads to the formation of new #materials -similar but structurally modified versions of the parent one- which can exhibit distinct properties, relevant for various applications. 🔬 The study, published in the Journal of the American Chemical Society (JACS), demonstrates the remarkable potential of Clip-Off Chemistry and the boundless versatility of MOFs. 🛠️ ➡️ This work, coordinated by ICREA Prof. Daniel Maspoch and Dr Inhar Imaz, was made possible by the European Research Council (ERC) Advanced Grant secured by Prof. Maspoch with his project CLIPOFF-CHEM. ✂️🧱 #materialsscience #research #newmaterials #chemistry #erc
In our latest paper published in the Journal of Physical Chemistry C (American Chemical Society), we discuss the significance and impact of doping in halide #perovskite #nanocrystals to unlock their full potential in the next generation of #LEDs. Thanks to UCL Global Engagement, NEXTCCUS and Department for Energy Security and Net Zero for their financial support of #FMED research group at the UCL Institute for Materials Discovery. #Research #Publication #Science #Perovskite #Optoelectronics #LEDs #Doping #Bandgap #FunctionalMaterials #MaterialsScience #EnergyMaterials #Academia Link: 📢👇
Our latest publication in the Journal of New Developments in Chemistry delves into the fascinating world of heterocyclic compounds. 📝🔍 👉 Title: "AB Initio (DFT) and Vibrational Studies of the Synthesized Heterocyclic Compound 2-6-oxo-2-Thioxotetrahydropyrimidin-41H-Ylidene Hydrazine Carbothioamide" 🔬 In this groundbreaking study, researchers investigate the structural properties of a newly synthesized hydrazone derivative, shedding light on its potential applications and impact in chemistry. 🌐 The study employs Density Functional Theory (DFT) to analyze the compound's structural properties, providing insights into its kinetic stability, biological activity, and nonlinear optical response. 📊 Key findings include: Frontier Molecular Orbital (FMO) analysis Global reactivity descriptors Natural Bond Orbital (NBO) analysis First hyperpolarizability analysis Thermodynamic parameters for vibrational intensity 💡 These findings offer valuable contributions to the field, paving the way for future research and applications in chemistry and beyond. 📖 Dive deeper into the study here: https://lnkd.in/gh4pHyTr Stay tuned for more updates on groundbreaking research in chemistry! 🌟 #ChemistryResearch #HeterocyclicCompounds #DFTAnalysis #SciencePublication
Heterogeneous Catalysis | Molten Catalysis | Enzyme Catalysis | Experiments | Computational Catalysis | Reaction Engineering | DFT | MD | Microkinetic Modeling | Pyrolysis | Hydrogen Energy | Biofuels | Carbon Capture
Excited to share our latest publication in The Journal of Physical Chemistry C (https://lnkd.in/gNzyeecD). Our article on ‘methane pyrolysis in molten FeCl3/KCl catalyst’. This groundbreaking research reveals unique mechanism, where iron(III) takes up electron from several Cl ions and the charge-deficient Cl ions are active for catalysis. Here ab initio molecular dynamics (AIMD) simulations and the Nudged Elastic Band (NEB) method were used to study the catalytic activity of FeCl3/KCl melt for methane pyrolysis.
This month I had the opportunity to take part in the Summer School of ElectroCatalysis #ELCATS2023 in #Trento and in the annual congress of Giornate dell’Elettrochimica Italiana #GEI2023 held in #Cefalù presenting my research work about the study of a new approach for the treatment of iodinated contrast media in wastewater using electrochemical deiodination. I am glad for the exciting multidisciplinary scientific program and the stimulating environment. I came into face-to-face contact with prestigious scientists in the field of #electrochemistry and #electrocatalysis, within an international network of talented chemists. #Congress #Electrochemistry #Electrocatalysis #ELCATS2023 #GEI2023 #PhD #Industrialchemistry
Genomics science | Drug Discovery | computational biology || computational chemistry || insillico mRNA vaccine design
I'm excited to share our research, published in 'Chemical Physics Impact,' focusing on resveratrol's molecular properties, structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), and effects in polar solvents (DMSO, EtOH, H2O). The article delves into the potential of Resveratrol as a compound for enhancing libido and provides a detailed analysis of its properties using various techniques such as structural analysis, reactivity descriptors, and molecular docking. The study found that Resveratrol has significant properties concerning libido enhancement, and its structural bond variations can be attributed to factors such as solvent polarity, screening effects, hydrogen bonding, solvation energy, and conformational preferences. The findings suggest that Resveratrol can be further explored for its potential use in this area, making it a promising avenue for future research. #Drugdesign #Drughunters #moleculardocking #computqtionalchemistry #biotechnology #drugdiscovery
