Tara P. Mishra
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View article: Shapeshifting Nanocatalyst for CO<sub>2</sub> Conversion
Shapeshifting Nanocatalyst for CO<sub>2</sub> Conversion Open
The conversion of CO 2 into high‐value chemicals through a photoreduction reaction in water is a promising route to reduce the dependence on fossil fuels. Enhancing selectivity toward hydrocarbons or alcohols can be achieved by Ag‐Cu alloy…
View article: Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine learning interatomic potentials
Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine learning interatomic potentials Open
Mn-rich disordered rocksalt (DRX) cathode materials exhibit a phase transformation from a disordered to a partially disordered spinel-like structure ($δ$-phase) during electrochemical cycling. In this computational study, we used charge-in…
View article: Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes
Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes Open
To address the growing demand for energy and support the shift toward transportation electrification and intermittent renewable energy, there is an urgent need for low‐cost, energy‐dense electrical storage. Research on Li‐ion electrode mat…
View article: Direct Observation of Phase Change Accommodating Hydrogen Uptake in Bimetallic Nanoparticles
Direct Observation of Phase Change Accommodating Hydrogen Uptake in Bimetallic Nanoparticles Open
Hydrogen holds great promise as a cleaner alternative to fossil fuels, but its efficient and affordable storage remains a significant challenge. Bimetallic systems, such as Pd and Ni, present a promising option for storing hydrogen. In thi…
View article: Origin of Enhanced Performance when Mn-Rich Rocksalt Cathodes transform to $δ$-DRX
Origin of Enhanced Performance when Mn-Rich Rocksalt Cathodes transform to $δ$-DRX Open
Most Mn-rich cathodes are known to undergo phase transformation into structures resembling spinel-like ordering upon electrochemical cycling. Recently, the irreversible transformation of Ti-containing Mn-rich disordered rock-salt cathodes …
View article: Synthetic accessibility and sodium ion conductivity of the Na$_{8-x}$A$^{x}$P$_2$O$_9$ (NAP) high-temperature sodium superionic conductor framework
Synthetic accessibility and sodium ion conductivity of the Na$_{8-x}$A$^{x}$P$_2$O$_9$ (NAP) high-temperature sodium superionic conductor framework Open
Advancement of solid state electrolytes (SSEs) for all solid state batteries typically focuses on modification of a parent structural framework for improved conductivity, \textit{e.g.} cation substitution for an immobile ion or varying the…
View article: Automated electron microscopy sample preparation system
Automated electron microscopy sample preparation system Open
An automated, modular, solvent-free system enabling preparation of powder samples for electron microscopy in self-driving labs. EMSBot addresses challenges in automating sample preparation and improves consistency and reproducibility.
View article: Accelerating the Electrochemical Formation of the δ Phase in Manganese‐Rich Rocksalt Cathodes
Accelerating the Electrochemical Formation of the δ Phase in Manganese‐Rich Rocksalt Cathodes Open
Mn‐rich disordered rocksalt materials with Li‐excess (DRX) materials have emerged as a promising class of earth‐abundant and energy‐dense next‐generation cathode materials for lithium‐ion batteries. Recently, an electrochemical transformat…
View article: Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment
Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment Open
NASICON‐type Li conductors (Li‐NASICON) have traditionally been regarded as promising candidates for solid‐state Li‐air battery applications because of their stability in water and ambient air. However, the presence of water in the cathode…
View article: Structure and exfoliation mechanism of two-dimensional boron nanosheets
Structure and exfoliation mechanism of two-dimensional boron nanosheets Open
Exfoliation of two-dimensional (2D) nanosheets from three-dimensional (3D) non-layered, non-van der Waals crystals represents an emerging strategy for materials engineering that could significantly increase the library of 2D materials. Yet…
View article: Direct observation of phase change accommodating hydrogen uptake in bimetallic nanoparticles
Direct observation of phase change accommodating hydrogen uptake in bimetallic nanoparticles Open
Hydrogen holds great promise as a cleaner alternative to fossil fuels, but its efficient and affordable storage remains a significant challenge. Bimetallic systems, such as Pd-Ni, present a promising option for storing hydrogen. In this st…
View article: Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes
Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes Open
The development of high-performance sodium (Na) ion batteries requires improved electrode materials. The energy and power densities of Na superionic conductor (NaSICON) electrode materials are promising for large-scale energy storage appli…
View article: Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes
Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes Open
The development of high-performance sodium (Na) ion batteries requires improved electrode materials. The energy and power densities of Na superionic conductor (NaSICON) electrode materials are promising for large-scale energy storage appli…
View article: Architecture, Development Cycle, and Governance Considerations in Co-created Research Software: the Example of py4DSTEM and Analysis of 4D-STEM Data
Architecture, Development Cycle, and Governance Considerations in Co-created Research Software: the Example of py4DSTEM and Analysis of 4D-STEM Data Open
Journal Article Architecture, Development Cycle, and Governance Considerations in Co-created Research Software: the Example of py4DSTEM and Analysis of 4D-STEM Data Get access Benjamin H Savitzky, Benjamin H Savitzky LBNL, NCEM, Berkeley C…
View article: kMCpy: A Python Package to Simulate Transport Properties in Solids with Kinetic Monte Carlo
kMCpy: A Python Package to Simulate Transport Properties in Solids with Kinetic Monte Carlo Open
Understanding ion transport in functional materials is crucial to unravel complex chemical reactions, improve rate per- formance of materials for energy storage and conversion, and optimize catalysts. To model ionic transport, atomistic si…
View article: Author Correction: Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
Author Correction: Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes Open
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View article: Theoretical and Experimental Studies of ion Transport in Mixed Polyanion Solid Electrolytes
Theoretical and Experimental Studies of ion Transport in Mixed Polyanion Solid Electrolytes Open
Lithium and sodium (Na) mixed polyanion solid electrolytes for all-solid-state batteries display some of the highest ionic conductivities reported to date. However, the effect of polyanion mixing on ion transport properties is still debate…
View article: Unlocking the origin of compositional fluctuations in InGaN light emitting diodes
Unlocking the origin of compositional fluctuations in InGaN light emitting diodes Open
The accurate determination of the compositional fluctuations is pivotal in\nunderstanding their role in the reduction of efficiency in high indium content\n$In_{x}Ga_{1-x}N$ light-emitting diodes, the origin of which is still poorly\nunder…