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2023

ATOMISTIC MODELING AND ANALYSIS OF ELECTROLYTE PROPERTIES FOR SODIUM-ION BATTERIES

STABILIZING COBALT‐FREE LI‐RICH LAYERED OXIDE CATHODES THROUGH OXYGEN LATTICE REGULATION BY TWO‐PHASE RU DOPING

IDENTIFYING SILICIDES VIA PLASMON LOSS SATELLITES IN PHOTOEMISSION OF THE RU-SI SYSTEM

2022

INVESTIGATING THE ROLE OF SURFACE ROUGHNESS AND DEFECTS ON EC BREAKDOWN, AS A PRECURSOR TO SEI FORMATION IN HARD CARBON SODIUM-ION BATTERY ANODES

ATOMIC-SCALE DESIGN OF ANODE MATERIALS FOR ALKALI METAL (LI/NA/K)-ION BATTERIES: PROGRESS AND PERSPECTIVES

COMPUTATIONAL STUDIES ON NA‐ION ELECTRODE MATERIALS

XENON ION IMPLANTATION INDUCED SURFACE COMPRESSIVE STRESS FOR PREVENTING DENDRITE PENETRATION IN SOLID-STATE ELECTROLYTES

INTRODUCING 4S‐2P ORBITAL HYBRIDIZATION TO STABILIZE SPINEL OXIDE CATHODES FOR LITHIUM‐ION BATTERIES

VOLTAGE PLATEAU VARIATION IN A BISMUTH-POTASSIUM BATTERY

HIGHLY ALIGNED LITHIOPHILIC ELECTROSPUN NANOFIBER MEMBRANE FOR THE MULTISCALE SUPPRESSION OF LI DENDRITE GROWTH

2021

ELUCIDATION OF THE SOLID ELECTROLYTE INTERPHASE FORMATION MECHANISM IN MICRO-MESOPOROUS HARD-CARBON ANODES

PREDICTION OF THE LIQUID–LIQUID EXTRACTION PROPERTIES OF IMIDAZOLIUM-BASED IONIC LIQUIDS FOR THE EXTRACTION OF AROMATICS FROM ALIPHATICS

A NOVEL AMORPHOUS P4SSE2 COMPOUND AS AN ADVANCED ANODE FOR SODIUM-ION BATTERIES IN ETHER-BASED ELECTROLYTES

2020

SODIUM STORAGE MECHANISM INVESTIGATIONS THROUGH STRUCTURAL CHANGES IN HARD CARBONS

A REVISED MECHANISTIC MODEL FOR SODIUM INSERTION IN HARD CARBONS

MOLECULAR‐LEVEL DESIGN OF PYRRHOTITE ELECTROCATALYST DECORATED HIERARCHICAL POROUS CARBON SPHERES AS NANOREACTORS FOR LITHIUM–SULFUR BATTERIES

FUNCTIONALIZED TWO-DIMENSIONAL NANOPOROUS GRAPHENE AS EFFICIENT GLOBAL ANODE MATERIALS FOR LI-, NA-, K-, MG-, AND CA-ION BATTERIES

THE ADSORPTION AND MIGRATION BEHAVIOR OF DIVALENT METALS (MG, CA, AND ZN) ON PRISTINE AND DEFECTIVE GRAPHENE

SYNTHESIS AND ELECTROCHEMICAL PROPERTIES OF BI2MOO6/CARBON ANODE FOR LITHIUM-ION BATTERY APPLICATION

ELUCIDATING THE EFFECT OF PLANAR GRAPHITIC LAYERS AND CYLINDRICAL PORES ON THE STORAGE AND DIFFUSION OF LI, NA, AND K IN CARBON MATERIALS

LOCAL MOBILITY IN ELECTROCHEMICALLY INACTIVE SODIUM IN HARD CARBON ANODES AFTER THE FIRST CYCLE

COMBINED DENSITY FUNCTIONAL THEORY AND MOLECULAR DYNAMICS STUDY OF SM0.75A0.25CO1−XMNXO2.88 (A = CA, SR; X = 0.125, 0.25) CATHODE MATERIAL FOR NEXT GENERATION SOLID OXIDE FUEL CELL

-2019

ADSORPTION AND MIGRATION OF ALKALI METALS (LI, NA, AND K) ON PRISTINE AND DEFECTIVE GRAPHENE SURFACES

MODELING OF DIFFUSION AND INCORPORATION OF INTERSTITIAL OXYGEN IONS AT THE TIN/SIO2 INTERFACE

STRUCTURAL, ELASTIC, VIBRATIONAL AND ELECTRONIC PROPERTIES OF AMORPHOUS SM2O3 FROM AB INITIO CALCULATIONS

COMPUTATIONAL STUDY OF THE MIXED B-SITE PEROVSKITE SMBXCO1−XO3−D (B = MN, FE, NI, CU) FOR NEXT GENERATION SOLID OXIDE FUEL CELL CATHODES

A COMPUTATIONAL STUDY OF THE ELECTRONIC PROPERTIES, IONIC CONDUCTION, AND THERMAL EXPANSION OF SM1−XAXCOO3 AND SM1−XAXCOO3−X/2 (A = BA2+, CA2+, SR2+, AND X = 0.25, 0.5) AS INTERMEDIATE TEMPERATURE SOFC CATHODES

A DFT+U STUDY OF THE STRUCTURAL, ELECTRONIC, MAGNETIC, AND MECHANICAL PROPERTIES OF CUBIC AND ORTHORHOMBIC SMCOO3

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