Journal ArticleDOI
Effect of organic cations in locally concentrated ionic liquid electrolytes on the electrochemical performance of lithium metal batteries
Marie Diekmann,Xu Liu,Alessandro Mariani,Maider Zarrabeitia,Maria Enrica Di Pietro,Xu Dong,Giuseppe Antonio Elia,Andrea Mele,Stefano Passerini +8 more
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TLDR
In this paper, Li/EmiBE/LiNiNi0.8Mn0.1Co 0.1O2 cells exhibit a capacity of 185m g−1 at 1C discharge and capacity retention of 96% after 200 cycles.About:
This article is published in Energy Storage Materials.The article was published on 2022-01-01. It has received 18 citations till now. The article focuses on the topics: Electrolyte & Ionic liquid.read more
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Recent development of ionic liquid-based electrolytes in lithium-ion batteries
TL;DR: In this paper , a review summarizes the recent development of ionic liquids and ionic liquid-based electrolytes in terms of physiochemical properties, interphase formation ability, and electrochemical performance in lithium-ion batteries.
Journal ArticleDOI
Difluorobenzene‐Based Locally Concentrated Ionic Liquid Electrolyte Enabling Stable Cycling of Lithium Metal Batteries with Nickel‐Rich Cathode
Xu Li,Alessandro Mariani,Thomas Diemant,Maria Enrica Di Pietro,Xu Dong,Matthias Kuenzel,Andrea Mele,Stefano Passerini +7 more
TL;DR: In this paper , a locally concentrated ionic liquid electrolyte (LCILE) consisting of lithium bis(fluorosulfonyl)imide (LiFSI), 1.2-difluorobenzene (dFBn) and 1,2-dimethyl-3-methylimidazolium (EmimFSI) is designed to overcome the difficulty of interfacial compatibility with conventional electrolytes, leading to limited cyclability.
Journal ArticleDOI
Toward Dendrite-Free Metallic Lithium Anodes: From Structural Design to Optimal Electrochemical Diffusion Kinetics.
Jian Wang,Linge Li,Huimin Hu,Hongfei Hu,Qinghua Guan,Min Huang,Lujie Jia,Henry Adenusi,Kun Tian,Jing Zhang,Stefano Passerini,Hongzhen Lin +11 more
TL;DR: In this article , the authors summarize the strategies employed in interfacial engineering and current collector host designs as well as the emerging electrochemical catalytic methods for evolving-accelerating-ameliorating lithium ion/atom diffusion processes.
Journal ArticleDOI
Thiophene functionalized porphyrin complexes as novel bipolar organic cathodes with high energy density and long cycle life
Xifeng Wu,Xin Feng,Jing Yuan,Xiukang Yang,Hongbo Shu,Chengkai Yang,Zheyuan Liu,Jin-feng Peng,Enhui Liu,Songting Tan,Ping Gao +10 more
TL;DR: In this article , bipolar organic molecules combining porphyrin and thiophene functional groups, [5, 15-bis-(ethynyl)-10, 20-dithienylporphinato]M(II), (M= Cu, Zn, Co, and 2H) are proposed as new cathodes.
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Electrolyte Engineering for High-Voltage Lithium Metal Batteries
Li-Wei Dong,Yuanpeng Ji,Chi Nung Chu,Dr. Samarpita Chatterjee (Mukherjee),Inés María Losa Lara,Ginny Paleg,Liju Yang,James L. Clements,João Simões +8 more
TL;DR: In this paper , a systematical overview of recent progress in the improvement of traditional electrolytes and the design of novel electrolytes for the highvoltage lithium metal batteries (HVLMBs) is presented.
References
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Journal ArticleDOI
Development and testing of a general amber force field.
TL;DR: A general Amber force field for organic molecules is described, designed to be compatible with existing Amber force fields for proteins and nucleic acids, and has parameters for most organic and pharmaceutical molecules that are composed of H, C, N, O, S, P, and halogens.
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The Amber biomolecular simulation programs
David A. Case,Thomas E. Cheatham,Tom Darden,Holger Gohlke,Ray Luo,Kenneth M. Merz,Alexey V. Onufriev,Carlos Simmerling,Bing Wang,Robert J. Woods +9 more
TL;DR: The development, current features, and some directions for future development of the Amber package of computer programs, which contains a group of programs embodying a number of powerful tools of modern computational chemistry, focused on molecular dynamics and free energy calculations of proteins, nucleic acids, and carbohydrates.
Journal ArticleDOI
PACKMOL: a package for building initial configurations for molecular dynamics simulations.
TL;DR: This work has developed a code able to pack millions of atoms, grouped in arbitrarily complex molecules, inside a variety of three‐dimensional regions, which can be intersections of spheres, ellipses, cylinders, planes, or boxes.
Book
High Resolution XPS of Organic Polymers: The Scienta ESCA300 Database
G. Beamson,David Briggs +1 more
TL;DR: In this article, the binding energy scale for sample charging curve fitting lineshapes shake-up structure valence bands impurities x-ray degradation organization of the database list of polymers and acronyms the database appendix 1 - primary C 1s shifts appendix 2 - secondary C 1 s shifts appendix 3.1 - 0 1s binding energies in CHO polymers appendix 4 - N 1 s binding energies appendix 5 - F 1 S binding energies and spin-orbit constants for core-line doublets apendix 7 - binding energies of peaks appearing in the valence band region