123 citations · 174 across the 17 of their papers we have counts for
14 papers · 1 filter
Crossover Dynamics of Non-Fickian Ionic Diffusion in Solids
Gangbin Yan, Pierfrancesco Ombrini, Zhichu Tang +14
Ionic diffusion in solids is central to energy storage, electronics, and catalysis, yet its chemical origins are difficult to resolve because conventional diffusion models struggle…
Deep learning denoising unlocks quantitative insights in operando materials microscopy
Samuel Degnan-Morgenstern, Alexander E. Cohen, Rajeev Gopal +4
Operando microscopy provides direct insight into the dynamic chemical and physical processes that govern functional materials, yet measurement noise limits the effective resolution…
Thermodynamically Consistent Continuum Theory of Magnetic Particles in High-Gradient Fields
Marko Tesanovic, Daniel M. Markiewitz, Marcus L. Popp +2
Magnetic particles underpin a broad range of technologies, from water purification and mineral processing to bioseparations and targeted drug delivery. The dynamics of magnetic par…
Ab Initio Free Energy Surfaces for Coupled Ion-Electron Transfer
Ethan Abraham, Martin Z. Bazant, Troy Van Voorhis
Although coupled ion-electron transfer (CIET) has emerged as a powerful framework to rationalize the kinetics of Faradaic reactions, its mechanism has lacked a fully microscopic, f…
Effective reorganization energy for electron transfer
Ethan Abraham, Junghyun Yoon, Troy Van Voorhis +1
The Marcus theory expression for the rate of non-adiabatic electron transfer is widely used across a range of physical conditions. Although Marcus theory defines the reorganization…
Learning Reaction-Diffusion Kinetics from Mechanical Information
Royal C. Ihuaenyi, Hongbo Zhao, Ruqing Fang +3
A central challenge in materials science is characterizing chemical processes that are elusive to direct measurement, particularly in functional materials operating under realistic…
Theory of ultrafast conductance modulation in electrochemical protonic synapses by multiphase polarization
Michael L. Li, Dingyu Shen, Jesus A. del Alamo +1
Three-terminal electrochemical ionic synapses (EIoS) have recently attracted interest for in-memory computing applications. These devices utilize electrochemical ion intercalation…
Line Tension Reshapes Nucleation at Surface Edges: A Generalized Theory for Nanopore Activation
Yanchen Wu, Martin Z. Bazant, Allan S. Myerson +1
Heterogeneous nucleation at surface edges is pervasive across nature and industry, yet the role of line tension, arising from asymmetric capillary interactions at geometric singula…
Bayesian Analysis of Interpretable Aging across Thousands of Lithium-ion Battery Cycles
Marc D. Berliner, Minsu Kim, Xiao Cui +5
The Doyle-Fuller-Newman (DFN) model is a common mechanistic model for lithium-ion batteries. The reaction rate constant and diffusivity within the DFN model are key parameters that…
Accelerating and enhancing thermodynamic simulations of electrochemical interfaces
Xiaochen Du, Mengren Liu, Jiayu Peng +6
Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsor…
Diagnostic-free onboard battery health assessment
Yunhong Che, Vivek N. Lam, Jinwook Rhyu +5
Diverse usage patterns induce complex and variable aging behaviors in lithium-ion batteries, complicating accurate health diagnosis and prognosis. Separate diagnostic cycles are of…
Theory of Cation Solvation in the Helmholtz Layer of Li-ion Battery Electrolytes
Zachary A. H. Goodwin, Daniel M. Markiewitz, Qisheng Wu +2
The solvation environments of Li in conventional non-aqueous battery electrolytes, such as LiPF in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), a…
Ionic Associations and Hydration in the Electrical Double Layer of Water-in-Salt Electrolytes
Daniel M. Markiewitz, Zachary A. H. Goodwin, Qianlu Zheng +3
Water-in-Salt-Electrolytes (WiSEs) are an exciting class of concentrated electrolytes finding applications in energy storage devices because of their expanded electrochemical stabi…
Mechanics Informatics: A paradigm for efficiently learning constitutive models
Royal C. Ihuaenyi, Wei Li, Martin Z. Bazant +1
Efficient and accurate learning of constitutive laws is crucial for accurately predicting the mechanical behavior of materials under complex loading conditions. Accurate model cali…