June 2, 2020, Research Highlights

Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes

The origin of strong acidity and explanation of ion diffusion along nanometric channels were uncovered in an important family of LiTFSI/H2O water-in-salt electrolytes (WiSEs). Read More

June 1, 2020, Research Highlights

Oxyfluorides with new structural phenomena and anion dynamics

The compound families (i) (Rb/NH4/Tl)MoO2F3, (ii) K5[Mo3O4F9]·3H2O, K5[Mo3O4F9]·2H2O, K16[Mo3O4F9]2[TiF6]3·2H2O, and (iii) Δ,Λ-[Cu(bpy)2(H2O)]2[(Ti/Zr/Hf)F6]2 were synthesized by hydro(solvo)thermal methods, and their atomic structures were solved with single-crystal X-ray diffraction and solid-state 19F NMR spectroscopy. These materials exhibit unique features such as (i) periodic tendril perversion (a reversal in helical chirality) along a 1D chain, (ii) metal–metal bonded heteroanionic clusters, or (iii) noncentrosymmetric crystallization of racemic mixtures. Read More

May 29, 2020, Research Highlights

Defect-Induced Anisotropic Surface Reactivity and Ion Transfer Processes of Anatase Nanoparticles

The role of vacancy defects in charge transfer and interfacial reaction processes were unveiled for anatase TiO2 nanoparticle surfaces using multimodal analysis with lithium bis(trifluoromethanesulfonyl)imde (Li-TFSI) as a probing molecule. Read More

May 28, 2020, Research Highlights

Impact of anion shape on Li+ solvation and on transport properties for lithium-air batteries: a molecular dynamics study

MD simulations show that the ionic dynamics of electrolyte solutions can be similar even though the Li+ solvation in each solution is different. Read More

May 28, 2020, Research Highlights

Accelerating the Discovery of Energy Storage Materials via AI-guided Computational Framework

An AI-guided quantum mechanical simulation framework was developed to identify homobenzylic ethers (HBEs) of desired oxidation potentials with 5-fold efficiency improvement over a brute force approach. Read More

May 11, 2020, Research Highlights

Crossover mitigation strategies for redox-flow batteries

Reviewed causes and effects of crossover in different types of flow batteries and discussed strategies to reduce crossover and mitigate its impact on performance and durability. Read More

April 28, 2020, Research Highlights

Exploration of Biomass-derived Activated Carbons for Use in Vanadium Redox Flow Batteries

Low-cost, sustainable, and elementally diverse biomass feedstocks are converted into activated carbons using a hydrothermal processing method. The suitability of the carbonaceous microparticles as catalysts for vanadium redox flow batteries is contemplated. Read More

April 15, 2020, Research Highlights

Polymer Chain Dynamics in Block Copolymer Electrolytes

The effect of salt concentration on polymer chain dynamics was quantitatively determined in the range of = 0.1-100 ns. This study reports the first measurements of tube diameters in block copolymers (with or without salt). Read More

April 15, 2020, Research Highlights

Assessing the levelized cost of vanadium redox flow batteries with capacity fade and rebalancing

Levelized cost is an important assessment metric that should be considered in addition to capital cost when determining the potential value of battery systems. Here, we contemplate the vanadium redox flow battery (VRFB) whose symmetric chemistry and open architecture enable periodic system maintenance (e.g. rebalancing) which, in turn, adds economic value. Read More

April 8, 2020, Research Highlights

Comparing Physical and Electrochemical Properties of Different Weave Patterns for Carbon Cloth Electrodes in Redox Flow Batteries

In situ and ex situ characterization is combined with electrochemical analysis to elucidate mass transport and fluid dynamic relationships in carbon cloth electrodes with different weave patterns (plain, 8-satin harness, and 2×2 basket). Read More