Avtar Singh’s Post

⚛ 🔥 Check out our latest article published in The Journal of Physical Chemistry A 🔥 ⚛ The Open Access article is available here:  https://lnkd.in/eZU-3bDy As iron powder nowadays attracts research attention as a carbon-free, circular energy carrier, molecular dynamics simulations can be used to better understand the mechanisms of liquid iron oxidation at elevated temperatures. We assess the impact of different reactive force fields (ReaxFFs) on liquid iron-oxygen system properties, revealing significant differences, underscoring the need for an improved ReaxFF to enhance our understanding of the mechanisms involved in liquid iron oxidation. This work is a result from a great collaboration with Efstratios Kritikos, Andrea Giusti, Marie-Aline Van Ende, Adri van Duin and XiaoCheng Mi Thermo-Fluids Engineering (TFE) at TU Eindhoven Imperial College London Seoul National University Penn State University #metalfuels #metalenergycarrier #ironfuel #MECRE

!!! Just published !!! To what extent can reactive molecular dynamics predict physical properties relevant to iron-powder combustion? An answer to this question and many others can be found in our recent work. Many thanks for the great work to our TUe colleagues! Also many thanks to Prof. van Duin for his invaluable insight. Imperial Mechanical Engineering

Excited to share our latest research published in the International Journal of Hydrogen Energy (IF 8.2)! We've developed a novel, cost-effective, and robust electrode material for supercapacitors: in-situ Ni-doped In/Mn oxalate. This binder-free electrode, synthesized using a unique approach, exhibits exceptional electrochemical performance. The electrode retains 88.8% of its initial capacity after extended cycling. This research paves the way for developing high-performance supercapacitors with improved energy density and stability, crucial for advancing energy storage technologies. Read the full paper here:  https://lnkd.in/gniiPMUh

🌟🔋 We would like to share a high impact publication in the field of #Lithium-ion #batteries co-authored by our very own Scientific Director, Montse Casas Cabanas, and colleague, Dimitrios Chatzogiannakis, in collaboration with INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA (ICMAB-CSIC), Umicore and ALBA Synchrotron on "Understanding charge transfer dynamics in blended positive electrodes for Li-ion batteries." 📚🔬 This study, published in Energy Storage Materials, sheds light on the intricate mechanisms of charge transfer within blended positive electrodes, marking a significant advance in #battery technology. The insights gained could lead to the development of more efficient and durable Li-ion batteries, which are crucial for #sustainable energy solutions. 🌍💡 https://lnkd.in/dKiZYk7q

🔋 ⚡ Blended electrodes can be custom-designed for specific applications if synergistic effects are well understood. In our latest study, Dimitrios Chatzogiannakis (Destiny PhD Programme MSCA COFUND PhD) looks into charge transfer dynamics in blended electrodes. We show how current distribution between blend components is influenced by their individual voltage profiles and varies across SoC. And we also captured the "buffer effect" (charge exchange between components during relaxation) in operando XRD experiments conducted at ALBA Synchrotron! In collaboration with M.Rosa Palacin (INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA (ICMAB-CSIC)) and Umicore.

Our work on Solvation-Property Relationship of Li-S Battery Electrolytes is now published online in Nature Communications! Link: https://lnkd.in/gu8m2nud The Li-S battery is a promising next-generation battery technology due to its high energy density and cost-effectiveness. Its distinctive chemistry involves intermediate sulfur species that readily dissolve in electrolytes, and understanding their implications is important from both practical and fundamental perspectives. We use our solvation free energy measurement to establish solvation-property relationships in various electrolytes and investigate their impact on the solvated lithium polysulfides. We observe that solvation free energy significantly influences several aspects of Li-S battery performance, including voltage profiles, lithium polysulfide solubility, cyclability, and the behavior of the Li metal anode. We demonstrate that weaker solvation results in a lower first plateau voltage, higher second plateau voltage, decreased solubility of lithium polysulfides, and enhanced cyclability of both Li-S full cells and Li metal anodes. At the same time, weaker solvation can compromise reaction kinetics, calling for a careful balance in solvation strength. We believe that there are exciting future opportunities in further advancing our understanding of Li-S electrolytes and developing high-performance electrolytes. I am grateful for all of my collaborators who have been crucial in this study. Particularly, a tremendous thank you to Dr. Xin Gao, the co-lead author and currently an Assistant Professor at Peking University. I would like to thank Prof. Zhenan Bao and Prof. Jian Qin for providing guidance. Last but certainly not least, I would like to thank my PhD advisor Prof. Yi Cui, for guiding and supporting us through this work.

Our review paper "Ion Mobility in Crystalline Battery Materials" has been published in Advanced Energy Materials! 📚 This review critically examines potential factors affecting ion mobility in crystalline battery materials, shedding light on chemical trends in batteries concerning both charge carriers and host materials. 🧪💡 Fundamental questions are explored to deepen our understanding of ion mobility in different classes of materials. 🔋 Thanks to my co-authors Sebastian, Manuel, Johannes, Katrin, Katharina, Daniel, and Axel for their invaluable contributions, as well as to POLiS - Cluster of Excellence and Ulm University! #IonMobility #BatteryMaterials #Electrochemistry #ResearchPaper #AdvancedEnergyMaterials 

By adding an ionic pair stabilizer to perovskite cells enables coating to take place in ambient air, simplifying the manufacturing process. An international team of researchers announced an important achievement on the path to commercializing perovskite solar cells. Perovskite, a semiconducting material, is the focus of research around the globe due to its potential to convert more solar power to electricity than the commonly used silicon, and at lower cost. There are drawbacks, however, in the production of perovskite solar. One of them is that the coating process must take place inside a chamber filled with non-reactive gas because otherwise the perovskites react with oxygen, thus decreasing performance. A new paper published in the journal Nature Energy describes the work conducted by Jixian Xu and his team at the National Synchrotron Radiation Laboratory, University of Electronic Science and Technology of China. The team found that adding dimethylammonium formate (DMAFo) to the perovskite solution before coating could prevent the materials from oxidizing. This discovery enables coating to take in ambient air instead of having to be inside a box.

Just published! This study, following what we reported in Fazal et al. ACS Appl. Energy Mater. 2023, was also led by Hira while working as a visiting PhD student in my lab. In our previous work, we developed vanadium- and cobalt-modified Ketjen black-sulfur composite (VCKBS) cathodes for Li-S batteries. Here, we studied the impact of prepared cathodes on cell resistance using the electrochemical impedance spectroscopy technique to understand the limits of the proposed material better. Moreover, an experimentally driven system-level performance model is offered to forecast the energy density of the battery. Compared to the sulfur cathode encapsulated with pure Ketjen black, VCKBS cathodes can significantly decrease internal cell resistances, especially at higher S loadings in electrolyte-deprived cells, leading to higher energy densities. Congrats Hira and Ayşegül! #bogaziciuniversity #electrochemicalengineeringresearchlab #lithiumsulfurbatteries

🌟 Exciting News! 🌟 I am thrilled to share that my first article on hydrogen energy has been published in the International Journal of Hydrogen Energy! 🚀🔋 Titled "Structure Modification of Magnesium Hydride for Solid Hydrogen Storage," this article delves into the innovative approaches for optimizing magnesium-based hydrogen storage materials. With hydrogen being a key player in our clean energy future, enhancing its storage methods is crucial. Our research focuses on the structural optimization of magnesium hydride to improve its energy density and safety, exploring synthesis methods like ball milling, thin film deposition, and direct current plasma technology. I am grateful to my supervisor Dr. Binjian Nie and co-authors Hangzuo Guo, Professor Zhanfeng Cui and Anthony Ball, and to all the people, organizations and institutions for their incredible support. This is just the beginning, and I am excited about the future of hydrogen energy and its potential to revolutionize our energy systems. 📘 Read the full article here: https://lnkd.in/e-VZag_P #HydrogenEnergy #CleanEnergy #Sustainability #Research #Innovation #Engineering