bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stabilizing Anode-Free Lithium Batteries Via External Thermal Gradients
Authors: Atkinson Robert W. , Kingston Todd A. , Carter Rachel , Love Corey T. 
Published: May 2020

Temperature is known to have a profound impact on battery electrochemistry and performance due to the strong temperature-dependence of kinetics and diffusion. However, the role of temperature on battery behavior has mostly been considered in the case of an isothermal cell. Though active thermal management systems for batteries strive to maintain isothermal control, localized thermal gradients can still develop within individual cells, which can significantly influence local electrochemistry. For this reason, it is important to understand the consequences and also the potential benefits of non-uniform temperature distribution across batteries.
Thermal gradients have been applied to lithium symmetric cells to significantly improve performance and stability. The direction of an interelectrode thermal gradient governs lithium plating morphology and dictates whether unstable, one-dimensional Li electroplating or stable, homogeneous electroplating occurs (1). With a warm positive electrode (40°C) and a cold negative electrode (0°C) (negative thermal gradient) we observe unstable cell behavior, extensive side reactions between Li and the electrolyte, and internal shorting. Reversing these temperatures so that the negative electrode is warmer than the positive electrode (a “positive” thermal gradient) decreases overpotentials, minimizes deleterious side reactions between Li and the electrolyte, and encourages long cycle life. Additionally, a positive thermal gradient stabilizes high-rate plating and stripping (1), showing promise for enabling fast-charging in lithium metal batteries.
This presentation will discuss the impact of thermal gradients on stabilizing lithium plating and stripping and its application for improving long-term cycle life in anode-free lithium metal batteries. First, we will use symmetric Li metal coin cells to investigate the roles of thermal gradient magnitude and electrode temperatures on lithium plating stability. After identifying optimal thermal conditions for highly reversible Li plating and stripping, we will apply this thermal gradient to an anode-free full cell with LiFePO4 cathode to confirm its benefit on long-term cycling in a practical cell. Operando techniques, such as optical microscopy and internal thermal sensing, as well as post mortem materials characterization, including X-ray diffraction (XRD), scanning electron microscopy (SEM), and Raman spectroscopy, will be used to describe and characterize cell behavior in the presence of an applied thermal gradient.
References
1. R. W. Atkinson III, R. Carter and C. T. Love, Energy Storage Materials, 22, 18 (2019).
Efficient Simulation of 2D Models for Microstructure Evolution in Lithium-Metal Batteries
Authors: Jang Taejin , Uppaluri Maitri , Subramanian Venkat R. 
Published: May 2020

The lithium-metal batteries are receiving great attention as one of the most promising candidates of next-generation batteries.1 While the Li-ion batteries use graphite to intercalate lithium, lithium-metal batteries do not need extra components except lithium plate itself and it is significantly advantageous in the specific capacity. On the other hand, the surface property of lithium metal anode greatly affects the performance of the battery and increases the dendrite growth and “dead” lithium over the cycle.2 Therefore, understanding the behavior of lithium-metal anode during the cycle is critical to mitigate the safety issue and enhance the overall performance of the battery.
In this talk, we first analyzed a previous one and two-dimensional model for Li-ion to lithium-metal battery under different geometry and rates.3 Different approaches for simulation are compared and preliminary results for microstructure evolution will be presented.

Acknowledgments

This research was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the US Department of Energy (DoE) through the Advanced Battery Materials Research Program (Battery500 Consortium) and Texas Materials Institute at the University of Texas at Austin.

References

1. C. Niu, H. Pan, W. Xu, J. Xiao, J.-G. Zhang, L. Luo, C. Wang, D. Mei, J. Meng, X. Wang, Z. Liu, L. Mai, and Jun Liu, Nature Nanotechnology, 14 594-602 (2019).
2. H. Sano, H. Sakaebe, H. Senoh, and H. Matsumoteo, J. Electrochem. Soc., 161 A1236-A1240 (2014)
3. M. Tang, P. Albertus, and J. Newman, J. Electrochem. Soc.,
156 A390-A399 (2009).
Interface Engineering of Sulfide-Based All-Solid-State Lithium Batteries
Authors: Wang Changhong , Huang Huan , Sun Andy Xueliang 
Published: May 2020

All-solid-state lithium batteries (ASSLBs) have gained intensive attention worldwide because of their intrinsic safety and potential high energy density.1 As a critical component in ASSLBs, various solid-state electrolytes have been extensively studied over the past decade. So far, the ionic conductivity of solid-state electrolytes, particularly sulfide electrolytes (SEs, i.e. Li10GeP2S12) is close to that of conventional liquid electrolytes. However, the electrochemical performance of SE-based ASSLBs is hindered by the large interfacial resistance between electrodes and sulfide electrolytes. The underlying reasons are detrimental interfacial reactions and insufficient solid-solid contact between electrodes and SEs in ASSLBs.2 In our research, taking the advantages of atomic/molecular layer deposition techniques, an interfacial layer with designed functionalities can be conformably interposed between the electrodes and solid-state sulfide electrolytes, aiming at overcoming the interfacial resistance. At the anode interface, a artifical solid electrolyte interphase (SEI) has been engineered to suppress the interfacial rections and lithium dendrite growth, sucessfully enabling the use of Li metal in SE-based ASSLBs.3 At the cathode interface, a dual-shell interfacial nanostructure was rationally designed, in which the inner shell LiNbO3 suppressing the interfacial reactions, while the outer shell Li10GeP2S12 providing an intimate electrode-electrolyte contact.4 As a result, the dual-shell strucutured LGPS@LNO@LCO cathode exhibits a high initial specific capacity of 125.8 mAh.g-1 (1.35 mAh.cm-2) with an initial Coulombic efficiency of 90.4% at 0.1 C and 87.7 mAh.g-1 even at 1C. Furthermore, a plastic crystal electrolyte has been developed, which can simultaneously suppress the interfacial reactions and lithium dendrite growth in ASSLBs.5 The above work not only demonstrates various strategies to enable high-energy-density ASSLBs but also provides new insights into the interfacial challenges of ASSLBs.

References:

1. Y. Zhao, K. Zheng and X. Sun, Joule, 2018, 1-22.
2. C. Wang, Q. Sun, Y. Liu, Y. Zhao, X. Li, X. Lin, M. N. Banis, M. Li, W. Li, K. R. Adair, D. Wang, J. Liang, R. Li, L. Zhang, R. Yang, S. Lu and X. Sun, Nano Energy, 2018, 48, 35-43.
3. C. Wang, Y. Zhao, Q. Sun, X. Li, Y. Liu, J. Liang, X. Li, X. Lin, R. Li, K. R. Adair, L. Zhang, R. Yang, S. Lu and X. Sun, Nano Energy, 2018, 53, 168-174.
4. C. Wang, X. Li, Y. Zhao, M. N. Banis, J. Liang, X. Li, Y. Sun, K. R. Adair, Q. Sun, Y. Liu, F. Zhao, S. Deng, X. Lin, R. Li, Y. Hu, T.-K. Sham, H. Huang, L. Zhang, R. Yang, S. Lu and X. Sun, Small Methods, 2019, 1900261, doi:10.1002/smtd.201900261.
5. C. Wang, K. R. Adair, J. Liang, X. Li, Y. Sun, X. Li, J. Wang, Q. Sun, F. Zhao, X. Lin, R. Li, H. Huang, L. Zhang, R. Yang, S. Lu and X. Sun, Adv. Funct. Mater., 2019, 1900392, DOI:10.1002/adfm.201900392.

Figure 1
(Invited) Electron Transport in Bulk and 2DEGs in beta-Ga2O3 and kV Class Laterals Device in beta-Ga2O3
Authors: Ghosh Krishnendu , Zhang Ke , Vaidya Abhishek , Sharma Ankit , Kumar Avinash , Singisetti Uttam 
Published: May 2020

Monoclinic beta-Ga2O3 and (AlxGa1-x)2O3 alloys are an emerging ultra-widebandgap semiconductor system for next generation power, GHz power switching and RF applications. In this talk, we will present the low field and high field transport simulations in Ga2O3 using first-principles calculations. Density functional theory calculations is used to get the band structure. The density functional perturbation theory is used to understand the lattice dynamics and identify the infrared (IR) active and Raman active phonon modes. Electron-phonon scattering rates are calculated Boltzmann transport equation is solved to calculate the low field mobility, velocity-field profiles and the impact ionization coefficients. The effect of dynamic screening on the electron mobility is evaluated in a two-dimensional electron gas (2-DEG) system in (AlxGa1-x)2O3/Ga2O3 heterostructures.
We will also report the Ga2O3 based power and RF devices. MOSFETs with spin-doping source/drain and n+ ohmic capped layers will be presented. kV breakdown voltages are seen with the devices limited by extrinsic breakdown. Temperature dependent characteristics show potential for high temperature applications.
(Invited) Radiation Effects on the Self-Heating of AlGaN/GaN High Electron Mobility Transistors
Authors: Choi Sukwon 
Published: May 2020

Gallium nitride (GaN) has emerged as one of the most attractive wide bandgap materials for near-future electronics technology, specifically for applications that require high-power and high-frequency devices. The spontaneous and piezoelectric polarization of GaN utilized in AlGaN/GaN high electron mobility transistors (HEMT), provides significantly low ON-resistance due to the formation of a two-dimensional electron gas (2-DEG) channel at the AlGaN/GaN heterointerface without any intentional doping. The fact that these devices do not rely upon dopants to carry the current, in conjunction with superior material property of GaN, makes AlGaN/GaN HEMTs perfect candidates for deep space applications. However, the high voltage operation and the inherently low ON-resistance in AlGaN/GaN HEMTs result in extremely high power densities. Consequently, intense self-heating deteriorates device performance and more importantly, reliability.
In order to counter the potential thermal problems associated with these device technologies for deep space applications, it is necessary to advance the knowledge of device irradiation and its effect on self-heating, material interfaces, and properties of constituent materials. To achieve this goal, a set of AlGaN/GaN HEMTs were irradiated with a proton flux at an energy level of 1 MeV at a fluence of 2x1015/cm2. Diverse optical thermography techniques including infrared thermography, thermoreflectance thermal imaging, and micro-Raman spectroscopy were used to quantify the effect of radiation on the device temperature distribution. It was observed that, as compared to pre-irradiated devices, irradiated devices show a 40% higher device peak temperature under identical power dissipation (5 W/mm). To understand the contributing factors behind the observations (and the resulting deterioration of device mean-time-to-failure), the device material stack and transmission line measurement (TLM) structures were analyzed further. Steady-state thermoreflectance (SSTR) measurement, standard electrical characterization, and 3D coupled electro-thermal modeling were performed to capture changes in the thermal conductivity, interfacial thermal boundary resistance, ohmic contact resistance, and sheet resistivity of the devices. This comprehensive study will support the exploitation of the full potential of GaN electronics for deep space and other applications that require radiation hardness.
Remote-Type Quantum Dot Lens-Based LEDs Fabricated with Stereolithagraphy 3D Printing
Authors: Jung Nian-Ting , Ho Shih-Jung , Chen Hsueh-Shih 
Published: May 2020

Quantum dots (QDs) have a great potential for next generation luminescence materials due to their unique properties, e.g., size-tunable bandgap, high luminescence quantum yield (QY) and narrow emission bandwidth. Thus, a wide-color-gamut display can be realized by introducing QDs in QD light-emitting diode application (QD-LED) instead of traditional phosphors. It has been found that photo and thermal oxidation can cause degradation of QDs.1 In the present study, a remote-type QD-LED in the structure of a QD color-convertor lens, prepared with stereolithagraphy (STL) 3D printing, on a blue InGaN chip has been presented. Different from traditionally fused-deposition-modeling (FDM) 3D printing, STL has advantages of fast forming process, direct laser curing without post-thermal curing, more intricate details and smooth surface. Comparing the reliability of QD-lens-based QD-LED with that of on-chip-package-type one, the QD lens are about 3.14 times longer in T50 and 78% lower in decaying rate than that of on-chip-package one after 528 h operated at 20 mA. A better reliability of the QD lens is attributed to smaller thermal and photo doses compared with those QDs in the on-chip package. The remote QD lens-based QD-LEDs are promising in lighting and display applications.
1. C. Huang, C. W. Yeh, G. H. Chen, M. C. Liu, and H. S. Chen, ACS Appl. Mater. Interfaces,
11, 2516 (2018).

Figure 1
Study of Graphene-like Indium Phosphide
Authors: Gorbenko Vitaliy Ivanovich 
Published: May 2020

The semiconductor compounds in a state of graphene-like structure are the interesting object for both fundamental studies and technology. The two-dimensional material have unique electronic, structural, chemical and physical properties that plays a significant role for technology of new devices. Therefore the obtaining of various properties of that graphene-like materials and the understanding of the nature of chemical interaction with various species are important. In this work for the geometry optimisation graphene-like structure of indium phosphide the GAMESS program package [1] have been used. The electronic properties of g-InP has been obtained by ABINIT program package [2].
Such species as hydrogen, oxygen and carbon are a part of many natural compositions of the environment. In this work the preferred adsorption sites for the H, O and C adatoms have been defined through the potential-energy profiles of its interacting with g-InP sheet.
All ab initio calculations reported in this work were carried out using the Hartree-Fock method of GAMESS program package. The GAMESS was run on computers cluster of V.M.Glushkov Institute of Cybernetics of NAS of Ukraine [3]. Both STO-3G and 3-21G Pople style basis sets were used for C, H and O atoms. The g-InP sheet has been presented by cluster model with 48 In-atoms and 48 P-atoms in the hexagonal cells and 24 hydrogen atoms on the cluster perimeter. In the atomic-force probe technique the atom-probe (H, O or C) is moving above the surface of sheet on fixed distance without any optimization of its geometry. As a result the potential-energy (PE) profiles of interaction of the various atoms-probe with g-InP sheet have been obtained.
[1] Gordon M.S., Schmidt M.W. // in "Theory and Applications of Computational Chemistry: the first forty years" by ed. C.E.Dykstra. - Elsevier, Amsterdam, 2005, p.1167-1189.
[2] https://docs.abinit.org/topics/features/
[3] http://www.icyb.kiev.ua/s/189/ua/klaster_ik.html

Figure 1
Transbattery, a Novel Class of Device to Study Electronic Properties of Nanostructured Materials for Energetics.
Authors: Poli Federico , Lan Tian , Herrera Jose Ramon , Santato Clara , Cicoira Fabio , Soavi Francesca 
Published: May 2020

International energy policies aim to promote the efficient use of renewable energy sources and sustainable electric transport. Furthermore, the growing demand for energy autonomy is pushing research towards the development of low consumption/ self-powered electronic devices. This requires high-efficiency energy storage/conversion systems.
In this context, the research is strongly committed to the development of new nanostructured electrode materials, especially for lithium batteries. Nowadays, attention is also paid to the miniaturization of electrochemical energy storage systems and their on-a-chip integration.
Therefore, here we report a systematic study on the electronic conductivity of thin films of nanostructured electrode materials for lithium-ion batteries. In particular, attention has been devoted to high voltage cathodic and stable anodic active materials.
This has been addressed, for the first time, using an "Electrolyte gated transistor" as cell configuration. Indeed, with this cell configuration, it has been possible to evaluate the electronic characteristics of the materials in situ, i.e. during the redox processes that are at the basis of battery operation.
In this study correlation between morphological and electronic properties of the material under charge/discharge cycling has been studied in order to monitor their evolution. The effect of different electrolytes such as commercial ones and, super-concentrated has been studied as well as the cycling performance. Finally, it has been possible to determine the most appropriate strategy to prepare the electrodes and select the right electrolyte in order to guarantee high current output and stability.
Acknowledgments
The research has been carried out under the Executive Bilateral Program Italy-Quebec 2017-2019 “Electronic properties of nanostructured materials for energetics” (M02241, QU17MO01 ).
A Novel Quaternary Composite Solid State Electrolyte for Li Batteries
Authors: Al-Salih Hilal , Yim Chae-Ho , Niketic Svetlana , Freytag Annica , Goward Gillian R. , Baranova Elena A. , Abu-Lebdeh Yaser 
Published: May 2020

All-solid-state batteries continue to grow as an alternative to replace the traditional liquid-based ones not only because they provide increased safety but also higher power and energy density [1]. However, current solid-state electrolytes are either brittle (ceramics) or suffer low ionic conductivity at room temperature (polymers) [1]. Therefore, composite solid electrolytes are considered as a viable option. We have developed flexible and easy film-forming composite solid state electrolytes (CSEs). Our promising CSE is a quaternary composite that consists of the Solid polymer electrolyte (SPE) Poly(ethylene oxide)/ Lithium bis(trifluoromethanesulfonyl)imide (PEO/ LiTFSI), the fast conducting perovskite inorganic ceramic Li0.33La0.557TiO3 (LLTO) and the plasticizer Succinonitrile (SN). Over 40 samples with different (PEO/LiTFSI/LLTO/SN) compositions were prepared and characterized. The optimal mechanical and electrochemical properties was found for the sample 10S which has the following composition: 70%-PEO 12% LiTFSI 9%-LLTO 9%-SN. 10S had the ionic conductivity of ̴ 10-3 S/cm at 55 ̊ C and young’s modulus of around 105 MPa. The all-solid-state battery made by sandwiching 10S between a lithium metal anode and an NMC 532-based cathode achieved specific discharge capacities of 161 mAh/g at C/20. Pulsed-field gradient NMR was performed at different temperatures to measure the diffusion coefficient. The results have shown an Arrhenius-type dependence with a slope switch at around 55 ̊ C which is a similar behavior as the one observed in the Arrhenius plot obtained from conductivity measurements. Further investigation is underway to elucidate the conductivity mechanism in this new type of quaternary composite by advanced NMR and other techniques
Reference
[1] M. Keller, A. Varzi, S. Passerini, J. Power Sources
2018, 392, 206.

Figure 1
High-Throughput Studies of Li-La-Zr-O Garnet Solid Electrolytes
Authors: Anderson Ethan Christopher , Jonderian Antranik , McCalla Eric 
Published: May 2020

Development of next-generation lithium-ion batteries has increasingly focused on all-solid batteries employing either ceramic, polymer, or glass electrolytes in order to address shortcomings in currently commercialized liquid electrolyte lithium-ion batteries including safety, limited lifetime and lower energy densities resulting from the instability with respect to Li metal anodes.[1] Lithium lanthanum zirconium oxide (LLZO) is a leading candidate for solid Li-batteries due to its high lithium-ion conductivity, stability in air and with Li metal, and compatibility with high-voltage cathodes.[2],[3],[4] Despite significant progress being made in its development, our understanding of LLZO is limited by the relatively small number of compositions which have been studied; especially considering the leading contender is a pseudo-quaternary oxide (Ga-doped LLZO).[5]

Herein, we have applied a high-throughput methodology for synthesizing, characterizing, and testing sets of 64 LLZO electrolytes at the mg-scale. This has allowed the study of the entire Li-La-Zr-O pseudo-ternary system by enabling a single researcher to explore hundreds of compositions in a single week. We employ a sol-gel synthesis method whereby a robot dispenses reagent solutions in order to vary the composition across a well-plate. After drying the samples and burning off the citrates, the resulting powders are pressed into pellets using a custom-made 64-pellet die and the pellets are sintered at the desired temperature. The high-throughput characterization techniques utilized include powder X-ray diffraction, electrochemical impedance spectrometry and electrochemical cycling in order to test electrolyte stability; with each method performed on 64 samples simultaneously.
The resulting structural phase diagrams will be presented for various sintering temperatures along with the extracted electrochemical properties. Given that ionic conductivity in ceramic electrolytes depends heavily on the presence/absence of certain structural defects, the complete understanding of the phase diagrams will significantly accelerate the development of this important class of advanced materials.

[1] D. Aurbach et al., Electrochimica Acta
2004, 50, 247-254.

[2] F. Zheng, et al., J. Power Sources
2018, 389, 198-213.

[3] Q. Liu, et al., J. Power Sources
2018, 389, 120-134.

[4] T. Thompson, et al., ACS Energy Letters
2017, 2, 462-468.

[5] J-F. Wu, et al., ACS Applied Mater Interfaces
2017, 9, 1542-1552