bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Theories for Modeling the Surface Stabilization and Dendrite Suppression for Lithium-Metal Anode Based on Piezoelectric Effect
Authors: Gao Tianhan , Lu Wei 
Published: September 2023

During electrodeposition, a small perturbation can cause the metal surface to lose its stability and form dendrite. Lithium dendrite is a key barrier that has impeded the commercialization of lithium metal batteries as well as fast charging. We find a piezoelectric mechanism to suppress dendrites, whose effect measured by over-potential can easily be 106 stronger than mechanically blocking dendrite with a stiff film. We first expanded the classical electrochemical reaction kinetics by incorporating the effect of stress and thin film piezoelectricity. We then developed a novel theory that couples the fields of electrochemistry, piezoelectricity and thin film mechanics. We then developed a rigorous stability analysis approach to reveal the effect of surface tension, mechanical blocking and piezoelectric mechanism on the stability of electrodeposition. We finally developed a theoretical expression of the critical wavelength, which provides useful guidance on achieving stable electrodeposition for various systems [1].
We further developed a theory for a bulk porous piezoelectric medium which couples electrochemistry, piezoelectricity, and mechanics. Specifically, we derived a piezoelectric overpotential, which reveals a fundamental relation to surface charge density, dielectric property of the medium, electrolyte concentration and diffusivity, and the reaction coefficient. Our simulation results show that piezoelectric medium can effectively suppresses electrodeposition on any protrusion, leading to a flat, dendrite-free surface [2].

References:

[1] T. Gao, G. Liu, W. Lu, A theory that couples electrochemistry and thin film piezoelectricity with stability analysis for electrodeposition, J. Mech. Phys. Solids. 162 (2022) 104827. doi:10.1016/j.jmps.2022.104827.
[2] T. Gao, D. Barnes, W. Lu, Theory of Coupled Electrochemistry and Piezoelectricity in a Porous Medium, Phys. Rev. Lett. 128 (2022) 68301. doi:10.1103/PhysRevLett.128.068301.
Parametric Reduced-Order Modeling of Battery Thermal Management Systems for Varying Rates of Cooling Liquid Flow
Authors: Xiang Linyan , Lee Cheol W , Zikanov Oleg , Hsu Chih-Cheng 
Published: September 2023

The thermal management system in battery packs for electrical/hybrid electric vehicles plays an important role in maintaining good performance and health of battery cells. In order to optimize the thermal management system design, computational fluid dynamics (CFD) simulations are often used. The CFD is a powerful tool that can accurately simulate the thermal behavior of the system using numerical computation techniques such as finite volume method. However, the days-long computational expense means that the CFD-based simulations are still unsuitable for situations when rapid results are required, for example for online predictive control or fast-pace optimization design.
A new method of reduced-order modeling of battery thermal management systems (BTMS) was presented in [1]. Given a CFD model, the algorithm based on projection on Krylov-subspace yields a reduced-order model (ROM). The ROM accurately predicts the system’s transient response to arbitrary internal heating of individual batteries and temperature of cooling liquid at inlet. Unlike conventional Krylov-subspace approaches, the algorithm does not require the system matrix of the CFD model. Therefore, the method is more suitable for use with commercial CFD software which does not allow access to such internal information. The ROM uses a drastically reduced number of degrees of freedom requiring drastically reduced simulation time.
This paper extends our ROM by including the mass flow rate of cooling liquid as a model parameter. The task is accomplished by interpolating the system matrices after several local reduced-order models are constructed at discrete mass flow rates (MFR). In order to interpolate the local ROMs, we first need to transform the local ROMs onto a common subspace. The transformation matrix is obtained by applying the singular value decomposition (SVD) to the local projection matrices. In this paper, three local ROMs are built at 3 different MFRs. After these local ROMs are transformed according to the above procedure, a parametric reduced-order model (pROM) is constructed via quadratic interpolation.
The constructed pROM is tested against the new MFRs different from those used for building the local ROMs. For each new MFR, the pROM produced a transient response that is almost indistinguishable from that of the CFD model (e.g., see Figure 1). The several thousand core-hour computational time needed for CFD simulations is replaced by a few tens of seconds using the pROM on a personal computer. The low computing load of the pROM is deemed adequate for on-board applications.

Reference

[1] Xiang L, Lee CW, Zikanov O, Hsu C-C. Efficient reduced order model for heat transfer in a battery pack of an electric vehicle. Applied Thermal Engineering. 2022; 201:117641.
Figure 1

Figure 1
Accelerated Prediction and Analysis of Lithium-Ion Battery Lifetime Using Efficient Electrochemical Models
Authors: Uppaluri Maitri , Subramaniam Akshay , Lim Jin-hyung , Subramanian Venkat R. 
Published: September 2023

Lithium-ion batteries degrade over their lifetime due to several parasitic reactions that occur in the cell. These reactions lead to loss of lithium inventory, loss of active material, mechanical and thermal damage to the cell’s component. Predicting cell aging and capacity fade is crucial for battery management systems (BMS) to monitor and control the battery's state of health. Physics-based models are valuable in battery management systems (BMS) to monitor the battery’s state of health and predict battery failure. BMS algorithms require fast codes that can predict and estimate battery parameters in real-time and control the battery’s performance under different loads.1 Common reduced-order models, such as the SPM (Single Particle Model) consider approximations that may not be valid as the cell ages. The Tanks-in-Series model is a model developed by Subramaniam et al., where the governing equations from the full-order ‘pseudo-2-D’ (p2D) model are volume-averaged over each cell region.2 This ensures that the physics captured by the mass and charge conservation equations are maintained without loss of accuracy while providing simulation solutions at a few milliseconds. The Tanks-in-Series model is ideal for predicting cell aging due to its reduced computation speed and predictability beyond other reduced-order models.
This work combines the Tanks-in-Series model with governing equations for several degradation mechanisms, including the growth of the SEI layer, lithium plating, particle cracking, etc. A comprehensive analysis of capacity fade predictions is shown, with comparisons to predictions from the P2D model.

References

V. Ramadesigan et al., J. Electrochem. Soc., 159, R31–R45 (2012).

A. Subramaniam et al., J. Electrochem. Soc., 167, 013534 (2020).
(Digital Presentation) Experimental Investigation of Thermal Runaway of Single 21700 Li-Ion Cell and Runaway Propagation in a Battery Module
Authors: Ahamad Salahuddin , R Gowda Ramith , Sundaramaan K. V. 
Published: September 2023

Li-ion battery is an integral part for the electric or hybrid electric vehicles, as they provide high energy density and power density with extended cycle-life compared to their closest rivals, Ni-MH batteries [1]. As the Li-ion batteries gained significant success in the automotive sector, safety issues, pertaining to the fire and explosion accidents caused by thermal runaway (TR) have become a critical issue obstructing their applications. Therefore, the Li-ion battery thermal runaway has attracted an increasing attention of the research community worldwide. Thermal runaway is a self-accelerated degradation process of Li-ion batteries, [2] it can be brought by abuse [3] or internal cell failure due to defects [4]. During the TR, a significant amount of burnable and harmful gas and a large amount of heat are generated, which substantially increase the temperature of batteries [5]. Currently, most of the research work on the TR characteristics are conducted under different triggering modes at the cell level. However, the research on the large lithium battery pack is quite scarce. Therefore, several important issues need to be identified to reveal the critical conditions of the fire propagation, and precisely predict the fire risk of Li-ion battery pack fire.
In this work, thermal failure experiments were performed using commercial cylindrical 21700 Li-ion single cell and a module by external heating, to analyze the casing rupture and the TR propagation behaviors in the pack based on the fire test apparatus. The critical parameters including the temperature, and heat release rate will be carefully analyzed to reveal the fire propagation hazards of battery packs.

References:

D. Rahn, and C. Y. Wang, Battery Systems Engineering, Wiley, State College, PA (2013).

Wen, Y. Yu, and C. Chen, Mater. Express, 2, 197 (2012).

W. Golubkov, D. Fuchs, J. Wagner, H. Wiltsche, C. Stangl, G. Fauler, G. Voitic, A. Thaler, and V. Hacker, RSC Adv., 4, 3633 (2014).

Feng, M. Ouyang, X. Liu, L. Lu, Y. Xia, and X. He, Energy Storage Mater., 10, 246 (2018).

Fu, S. Lu, K. Li, C. Liu, X. Cheng, and H. Zhang, J. Power Sources, 273, 216 (2015).
Polymer Electrolytes for Printed 2-D Microcapacitors with Silver Electrodes
Authors: Virya Alvin , Wang Guan Ying , Wang Zhi Yi , Chu Ta-Ya , Graddage Neil , Lian Keryn 
Published: September 2023

The next generations of wearable electronics require high-performance, low-cost, thin, and flexible 2-D electronic components, e.g. capacitors and transistors. The commercial feasibility of these technologies relies on printable, high throughput, highly electronically-conductive, and inexpensive silver electrodes/current collectors to replace gold counterparts. However, silver-based devices are prone to failure due to corrosion forming resistive oxides or dendrites in aqueous environments (as shown in Figure 1a). Polymer electrolytes, possessing high ionic conductivity and enabled double layer capacitance at electrode interface, are highly tunable to minimize the dendritic growth and can be a promising technology for these 2-D devices.
In this study, some high-performance aqueous polymer electrolytes that have previously been demonstrated for supercapacitors were compared and modified for better integration into printed interdigitated devices with silver electrodes. The polymer electrolytes were evaluated for their apparent ionic conductivities, capacitance, and corrosion properties using cyclic voltammetry and electrochemical impedance spectroscopy. Polymer electrolytes can effectively inhibit dendritic formation as shown via optical microscope in Fig. 1b. The optimized electrolytes possessed (i) high ionic conductivity (>1 mS cm-1) at ambient, (ii) good ability to maintain well-dissociated ions enabling double layer capacitance formation (Fig. 1c), with capacitance >100 μF cm-2 and (iii) good compatibility with silver electrodes. Overall, the optimized polymer electrolytes can be a low-cost, viable alternative in printed electronics requiring high dielectric materials, such as microcapacitors and low-powered field-effect transistors.

Figure 1
(Invited) Design and Modeling of Resistive Switching Devices for Neuromorphic Applications
Authors: Sasikumar Renjith , Kolla Lakshmi Ganapathi , Misra Durgamadhab , Padmanabhan Revathy 
Published: September 2023

Resistive switching devices are a critical component for the realization of computational systems that mimic biological neural systems. In biological systems, connection weights between the neurons are dependent on the time lapse between the neurons’ action potentials. Resistive switching devices (memristors) with multiple conductance states can mimic this biological spike-time-dependent plasticity (STDP) behaviour, with multiple conductance states being analogous to different synaptic weights. Additionally, memristors are one of the contenders as storage elements in non-volatile memories. The change in conductance in memristors can be broadly attributed to vacancy migration inside the switching layer (valence change memory) or the formation of metallic filaments inside the switching layer (electrochemical metallization).
Electrochemical metallization-based memristors with vertical transport and small inter-electrode distances have been reported recently. Their device characteristics exhibit multiple conductance states with relatively low switching voltages, which makes them well-suited for low-power neuromorphic applications. Our work models the transport in these memristors, focusing on explaining and capturing their current-voltage characteristics. Our model also captures the switching dynamics (with an emphasis on estimating switching energies and delays) and explains the experimentally observed STDP behaviour in these devices. We have proposed models for filament growth and dissolution along one dimension (axial) and two dimensions (axial and radial). The simulation results obtained using our model (and implemented in Verilog-A) have been validated with experimental data from multiple sources. Our work demonstrates the flexibility of including different transport mechanisms in a unified framework.
We have characterized valence change memory (VCM) memristors with HfO2 and HfZrO2 as switching layers. They exhibit bipolar switching, negative differential resistance, multiple conductance states, and STDP behaviour, which have been analyzed. We have also modeled the transport in these VCM-based memristors, and simulated the I-V and dynamic switching characteristics, and STDP behaviour in these devices. We have simulated arrays of, both, ECM and VCM devices using the proposed models, and tried to demonstrate a typical pattern classification problem using in-memory computation. We believe that our models provide useful insight into the design of memristors for neuromorphic and memory applications.
In Memory Energy Application for Electrochemical Random Access Memory
Authors: Nguyen Ngoc Anh , Melfi Massimiliano , Allain Marjolaine , Hellion Clemence , Lamy Yann , Oukassi Sami 
Published: September 2023

This work explores the innovative concept of a hybrid dual-behavior device, based on emerging nonvolatile memory technology, for both data retention and energy storage. Electrochemical random access memory (ECRAM) is considered a major candidate as next-generation memory, thanks to its promising performances in terms of scalability and CMOS process compatibility. In particular, three-terminal synaptic transistors (SynT) offer an ion conductor-gated control from which ion doping content can be monitored with high energy efficiency via redox reactions, thus decoupling write-read actions and improving the linearity of programming states for neuromorphic computing1. Its working mechanisms, based on faradaic processes, motivate the study on the feasibility of operating ECRAM also as energy storage element.
To evaluate the energy capability, various electrochemical characterizations are presented. Cyclic voltammetry tests reveal that the cells behave as standard electrochemical storage elements when investigating the impact of the scan rate, maximum positive voltage, and area on the reduction peak. Storage capability amounts up to 1.5µAh.cm-2 have been obtained, two decades higher than deep trench capacitor existing solutions, while showing outstanding synaptic behavior: A nonvolatile conductance modulation (<75 nS) is achieved through reversible lithium intercalation into the channel, and synaptic functions, such as long-term potentiation/depression involve ultralow switching energy of 2 fJ μm−2. Moreover, this SynT shows excellent endurance (>105 weight updates) and recognition accuracy (>95% on the MNIST data test using crossbar simulations). Finally, design concepts are proposed, where ECRAM “in-memory energy” technology would be a newfangled approach to meet the needs of various emerging and standard applications.
Reference

Nguyen, N. et al. An Ultralow Power Li x TiO 2 -Based Synaptic Transistor for Scalable Neuromorphic Computing. Adv. Electron. Mater.
2200607, 2200607 (2022).

Figure 1. Schematic view of the elaborated SynT, and corresponding dual energy and data storage properties: vertical gate stack is a nanobattery with energy storage function while lateral architecture allows for conductance modulation and data storage.

Figure 1
(Invited) Understanding Photoelectrocatalysis on Epitaxial Oxide Surfaces
Authors: Stoerzinger Kelsey A 
Published: September 2023

The intermittent nature of renewable energy sources requires a clean, scalable means of converting and storing energy. One Earth abundant storage option is water electrolysis, storing energy in the bonds of O2 and H2. Photoelectrochemical (PEC) cells based on semiconductor/liquid interfaces can convert sunlight to chemical fuels without external circuitry, such as “splitting” water into O2 and H2 upon illumination. The efficacy of conversion depends in part on the location of the semiconductor band edges, dictating absorption, and also the rectifying properties of semiconductor–electrolyte junctions, which drives the separation of electron–hole pairs.
We will present studies of model oxide La(1-x)SrxFeO3 photoelectrodes grown by molecular beam epitaxy (MBE) and pulsed laser deposition (PLD) that display a known crystallographic orientation, surface area, path for charge transport, and strain. Aliovalent doping can tune the transition metal redox properties as well as the material band gap and conductivity, resulting in a rich phase space of possible water-oxidation photoanodes. Comparing the photooxidation of a fast redox couple to the slugging water oxidation reaction demonstrates the potential of electronic states that must be filled prior to oxygen evolution. Measurements of the surface speciation in a humid environment demonstrate that Sr incorporation also promotes hydroxylation, suggesting that water oxidation proceeds through the oxidation of FeIII-OH states, which is facilitated by Sr incorporation and results in an increased photovoltage. Surface-sensitive measurement of the valence band and unoccupied states (via O K-edge X-ray absorption spectroscopy) under humid conditions further support this picture. This fundamental insight builds understanding necessary for the design of active, earth-abundant photocatalysts that can be integrated into PEC devices for efficient conversion of solar energy into chemical fuels.
Estimation of Size and Lattice Strain of ZnO/Ag Nanowires Based on Williamson-Hall Analysis
Authors: Younsi Chahra 
Published: September 2023

Zinc oxide (ZnO) is known as an important semiconductor which has been studied extensively in the past few years due to its fundamental and technological importance, Its
many attractive properties, such as wide bandgap (3.37 eV), large exciton binding energy and excellent chemical stability, suggest a great many possible practical applications such as in gas sensors, ceramics, field-emission devices and luminescent materials and therapeutic , size and crystal morphology play important roles in these applications, which have driven researchers to focus on the synthesis of nanocrystalline ZnO. This work is aimed to the development and characterization of zinc oxyde nanowires for therapeutic applications. ZnO nanowires are elaborated by hydrothermal method using a novel synthesized protocol. The elaboration hydrothermal conditions were optimized in order to have the longest nanowires with the lowest diameter. The structural, morphological and elementary analysis of the growth NWs was carried out by X-ray Diffraction (DRX), Scanning Electron Microscopy (SEM) and Energy Dispersive spectroscopy (EDS). The XRD results revealed that the sample product was crystalline with a hexagonal wurtzite phase. transmission electron microscopy (TEM) showed single-crystal ZnO NPs with nearly wires shapes. The crystalline development in the ZnO-Nws was investigated by X-ray peak broadening. The Williamsone Hall (W_H) analysis and sizee strain plot method were used to study the individual contributions of crystallite sizes and lattice strain on the peak broadening of the ZnO-Nws.
(Invited) novel Charged Interfaces for Catalysis and Energy Conversion
Authors: Fan Feng Ru 
Published: September 2023

Charged interfaces are ubiquitous in many research fields such as electrochemistry, catalysis, and energy chemistry, and are key places where physical and chemical processes occur. The charged interface structure can also be affected by external fields such as light, electricity, and force, and becomes the key to regulating chemical reactions. It is of great significance for the development of surface and interface science, electrochemistry, catalysis and energy science to deeply understand the physical and chemical reaction process and mechanism of various charged interface systems, and to clarify the interaction between interface structure and reacting species. It is extremely challenging to rationally design, construct, and characterize various novel charged interfaces, and then comprehensively and deeply study their physical and chemical processes and mechanisms. By constructing new charged interface structures such as solid/solid triboelectric interface, micro-droplet charged liquid/gas interface, and metal/two-dimensional material charged interface, we study the reaction process and mechanism of the charged interface and develop new energy conversion pathways. A series of innovative research results: Discovered a new mechanism of triboelectric power generation, expanding the new direction of charged interface structure in energy conversion; established and developed epitaxial growth modes of various interface structures; accurately characterized the electron transport of charged interface structure and surface charge distribution and other physical and chemical properties.
We have developed new systems such as solid/dielectric/liquid charged interfaces based on electrodes/dielectric layers/electrolytes and liquid/gas charged interfaces based on microdroplets, and explored new applications in energy conversion and electrocatalysis. Applying a voltage to the electrode/dielectric layer/electrolyte interface can polarize the dielectric layer and adsorb ions in the electrolyte, forming a special "sandwich" electric double layer. Different from the solid/solid charged interface formed by triboelectrification or light excitation, this is a new solid/dielectric/liquid charged interface system based on electrostatic adsorption. Based on this interface system, a new nanoscale power generation device is designed, which can effectively convert mechanical energy into electrical energy, and has high output performance. A new liquid/gas charged interface based on micro-droplets was constructed by means of electrospray, a new strategy for confining the liquid/gas charged interface was proposed, and a high-performance electrolytic water catalyst was prepared. The physical and chemical mechanism of accelerated chemical reactions at the liquid/gas charged interface is revealed, and the desolvation effect and interface confinement effect are proved to be effective ways to construct defect-rich electrocatalysts.