Vijayakumar Murugesan
YOU?
Author Swipe
View article: In Situ Cryogenic X-ray Photoelectron Spectroscopy Unveils Metastable Components of SEI layers in Li-ion Batteries
In Situ Cryogenic X-ray Photoelectron Spectroscopy Unveils Metastable Components of SEI layers in Li-ion Batteries Open
The solid electrolyte interphase (SEI) layer evolution is a critical yet poorly understood phenomenon in Li-ion batteries. As a multiphasic component evolving from the reactivity of the electrolyte and anode, the SEI comprises many interme…
View article: Modulating Solvation Structure in Concentrated Aqueous Organic Redox Flow Battery Electrolyte for Solubility and Transport Enhancement via Polycomplex Ion
Modulating Solvation Structure in Concentrated Aqueous Organic Redox Flow Battery Electrolyte for Solubility and Transport Enhancement via Polycomplex Ion Open
Aqueous organic redox flow batteries hold great promise as a technology for creating economical grid energy storage using sustainable materials. Nonetheless, the solubility limit presents a universal barrier for all redox-active organic mo…
View article: Harnessing Electric Fields for Rare Earth Element Recovery: A Computational Study of Electromigration and Flow Dynamics Using Dilute Feedstock
Harnessing Electric Fields for Rare Earth Element Recovery: A Computational Study of Electromigration and Flow Dynamics Using Dilute Feedstock Open
The extraction of critical metals, such as rare earth elements (REEs), from dilute feedstocks like geothermal brine, mine tailings, and produced water is crucial for advancing clean energy technologies and sustainable manufacturing. Howeve…
View article: Strontium‐Enriched Barite for Enhanced PbSO <sub>4</sub> Nucleation in Lead‐Acid Batteries
Strontium‐Enriched Barite for Enhanced PbSO <sub>4</sub> Nucleation in Lead‐Acid Batteries Open
Barite (BaSO 4 ) crystals are an important additive in lead acid batteries due to their ability to promote the controlled nucleation and growth of anglesite (PbSO 4 ) during battery cycling. This is due to BaSO 4 ’s isostructural match wit…
View article: Shaping the Future of Self-Driving Autonomous Laboratories Workshop
Shaping the Future of Self-Driving Autonomous Laboratories Workshop Open
The "Shaping the Future of Self-Driving Autonomous Laboratories" workshop, held in Denver on November 7-8, 2024, brought together leading experts from materials science and computing to address the growing need to revolutionize scientific …
View article: Stabilizing Graphite Anode in Electrolytes with Nanoscale Anion Networking for High-Rate Lithium Storage
Stabilizing Graphite Anode in Electrolytes with Nanoscale Anion Networking for High-Rate Lithium Storage Open
Graphite is the preferred anode material in commercial lithium-ion batteries (LIBs), but its limited compatibility with various organic molecules restricts the electrolyte solvent options. The primary challenge is solvent co-intercalation …
View article: In Situ Characterization of Metastable Pb<sub>3</sub>O<sub>5</sub> and Pb<sub>2</sub>O<sub>3</sub> Phases During Thermal Decomposition of PbO<sub>2</sub> to PbO
In Situ Characterization of Metastable Pb<sub>3</sub>O<sub>5</sub> and Pb<sub>2</sub>O<sub>3</sub> Phases During Thermal Decomposition of PbO<sub>2</sub> to PbO Open
Nonstoichiometric lead oxides play a key role in the formation and cycling of the positive electrodes in a lead acid battery. These phases have been linked to the underutilization of the positive active material but also play a key role in…
View article: Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation
Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation Open
High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale computati…
View article: Ecological Dynamics of Water Hyacinth in Coimbatore Lakes: Implications for Biomass, Carbon Stock, and Nutrient Management
Ecological Dynamics of Water Hyacinth in Coimbatore Lakes: Implications for Biomass, Carbon Stock, and Nutrient Management Open
In aquatic ecosystems, water hyacinth (Eichhornia crassipes) often proliferates, impacting water quality and ecological balance. This study investigates the density, biomass, carbon stock, and nutrient concentrations of E. crassipes across…
View article: Electrochemical Imaging of Precisely‐Defined Redox and Reactive Interfaces
Electrochemical Imaging of Precisely‐Defined Redox and Reactive Interfaces Open
Understanding the diverse electrochemical reactions occurring at electrode‐electrolyte interfaces (EEIs) is a critical challenge to developing more efficient energy conversion and storage technologies. Establishing a predictive molecular‐l…
View article: Electrochemical Imaging of Precisely‐Defined Redox and Reactive Interfaces
Electrochemical Imaging of Precisely‐Defined Redox and Reactive Interfaces Open
Understanding the diverse electrochemical reactions occurring at electrode‐electrolyte interfaces (EEIs) is a critical challenge to developing more efficient energy conversion and storage technologies. Establishing a predictive molecular‐l…
View article: Transition metal oxides in CO2 driven oxidative dehydrogenation: Uncovering their redox properties
Transition metal oxides in CO2 driven oxidative dehydrogenation: Uncovering their redox properties Open
Extensive research efforts have been devoted to using greenhouse gas CO2 in upgrading bio-derived feedstock to value-added chemicals using the oxidative dehydrogenation route (CO2-ODH) with low-energy input. To realize the effective deploy…
View article: Knowledge-driven design of fluorinated ether electrolytes via a multi-model approach
Knowledge-driven design of fluorinated ether electrolytes via a multi-model approach Open
Fluorinated ether solvents (FLS) can enhance the cycle life of Li-S batteries by mitigating the polysulfide shuttle effect. However, developing fluorinated electrolytes with reduced polysulfide solubility and uncompromised transport proper…
View article: From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries
From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries Open
Multivalent battery chemistries have been explored in response to the increasing demand for high-energy rechargeable batteries utilizing sustainable resources. Solvation structures of working cations have been recognized as a key component…
View article: Stable Cycling of Mg Metal Anodes by Regulating the Reactivity of Mg<sup>2+</sup> Solvation Species
Stable Cycling of Mg Metal Anodes by Regulating the Reactivity of Mg<sup>2+</sup> Solvation Species Open
Rationally designing stable nonaqueous electrolytes for Mg metal anodes demands a thorough understanding of their interfacial behaviors. Here, the critical role of cation–anion pairing in improving the cathodic stabilities of amine‐based e…
View article: Coupled Experimental–Theoretical Characterization of a Carbon Electrode in Vanadium Redox Flow Batteries using X-ray Absorption Spectroscopy
Coupled Experimental–Theoretical Characterization of a Carbon Electrode in Vanadium Redox Flow Batteries using X-ray Absorption Spectroscopy Open
Vanadium redox flow batteries (VRFBs) have emerged as promising solutions for stationary grid energy storage due to their high efficiency, scalability, safety, near room-temperature operation conditions, and the ability to independently si…
View article: Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation
Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation Open
High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale computati…
View article: SOMAS
SOMAS Open
SOMAS dataset and XYZ files
View article: Electrolyte Reactivity on the MgV<sub>2</sub>O<sub>4</sub> Cathode Surface
Electrolyte Reactivity on the MgV<sub>2</sub>O<sub>4</sub> Cathode Surface Open
Predictive understanding of the solvation-dependent reactivity and molecular interaction of electrolyte ions and solvent molecules on reactive electrodes has been a major challenge but is essential for addressing instabilities and surface …
View article: High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research
High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research Open
Solubility is crucial for redox flow batteries because it affects their energy density. A data-driven approach based on artificial intelligence/machine learning models can accelerate the development of highly soluble redox-active materials…