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Li-Ion Solid-State Electrolytes (Li-SSEs) are a promising solution that resolves the critical issues of conventional Li-Ion Batteries (LIBs) such as poor ionic conductivity, interfacial instability, and dendrites growth. In this study, a…

Materials Science · Physics 2022-02-15 Seungpyo Kang , Minseon Kim , Kyoungmin Min

Electronic structure and cohesive properties of metastable hexagonal AgB_{2} and silver-deficient borides Ag_{0.875}B_{2} and Ag_{0.750}B_{2} were investigated by means of the projected augmented wave method in the framework of the density…

Materials Science · Physics 2007-05-23 I. R. Shein , N. I. Medvedeva , A. L. Ivanovskii

The abundance of Sodium (Na), its low-cost, and low reduction potential provide a lucrative inexpensive, safe, and environmentally benign alternative to Lithium Ion Batteries (LIBs). The significant challenges in advancing Sodium Ion…

Materials Science · Physics 2018-08-16 Vidushi Sharma , Kamalika Ghatak , Dibakar Datta

The optimization of the electrode manufacturing process is important for upscaling the application of Lithium Ion Batteries (LIBs) to cater for growing energy demand. In particular, LIB manufacturing is very important to be optimized…

Machine Learning · Computer Science 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco

Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…

The existing solid electrolytes for lithium ion batteries suffer from low total ionic conductivity, which restricts its usefulness for the lithium-ion battery technology. Among them, the NASICON-based materials, such as…

Chemical Physics · Physics 2020-08-03 K. Kwatek , W. Ślubowska , J. Trébosc , O. Lafon , J. L. Nowiński

The penetration of dendrites in ceramic lithium conductors severely constrains the development of solid-state batteries (SSBs) while its nanoscopic origin remain unelucidated. We develop an in-situ nanoscale electrochemical characterization…

In this work, the structural stability and the electronic properties of LiNiBO 3 and LiFe x Ni (1-x) BO 3 are studied using first principle calculations based on density functional theory. The calculated structural parameters are in good…

Materials Science · Physics 2018-05-09 Anu Maria Augustine , Vishnu Sudarsanan , Geo Sunny , P. Ravindran

Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…

Numerical Analysis · Mathematics 2024-04-03 R. Schoof , G. F. Castelli , W. Dörfler

The incorporation of ceramics into polymers, forming solid composite electrolytes (SCEs) leads to enhanced electrical performance of all-solid-state lithium metal batteries. This is because the dispersed ceramics particles increase the…

Soft Condensed Matter · Physics 2024-09-25 Ao Cheng , Linlin Sun , Nicola Menga , Wanyou Yang , Xin Zhang

The choice of cathode material in Li-ion batteries (LIBs) underpins their overall performance. Discovering new cathode materials is a slow process, and all major commercial cathode materials are still based on those identified in the 1990s.…

Materials Science · Physics 2024-06-12 Bonan Zhu , Ziheng Lu , Chris J. Pickard , David O. Scanlon

Lithium metal batteries (LMBs), when coupled with a localized high-concentration electrolyte and a high-voltage nickel-rich cathode, offer a solution to the increasing demand for high energy density and long cycle life. However, the…

Materials Science · Physics 2024-01-12 Tao Meng , Shanshan Yang , Yitong Peng , Xiwei Lan , Pingan Li , Kangjia Hu , Xianluo Hu

Lithium-sulfur technology garners significant interest due to sulfur's higher specific capacity, cost-effectiveness, and environmentally friendly aspects. However, sulfur's insulating nature and poor cycle life hinder practical application.…

Materials Science · Physics 2024-09-06 Mariam Ezzedine , Fatme Jardali , Ileana Florea , Costel-Sorin Cojocaru

Nonaqueous aluminum-ion batteries are an interesting emerging energy storage technology, offering a plethora of advantages over existing grid energy storage solutions. Carbonaceous and graphitic materials are an appealing cathode material…

Chemical Physics · Physics 2020-01-17 Nicolò Canever , Fraser R. Hughson , Thomas Nann

Dendrite formation during electrodeposition while charging lithium metal batteries compromises their safety. While high shear modulus solid-ion conductors (SICs) have been prioritized to resolve pressure-driven instabilities that lead to…

Halide solid-state electrolytes have emerged as promising candidates for all-solid-state lithium batteries due to their high oxidative stability and deformability, yet their moderate ionic conductivity remains a bottleneck. While…

Materials Science · Physics 2026-02-02 Boyuan Xu , Chen Qian , Liyi Bai , Chenlu Wang , Feng Ding , Qisheng Wu

It is of great importance to develop inorganic solid electrolytes with high ionic conductivity, thus enabling solid state Li-ion batteries to address the notorious safety issue about the current technology due to use of highly flammable…

Chemical Physics · Physics 2017-07-17 Zhuo Wang , Min Jie Xuan , Hong Jie Xu , Guosheng Shao

We consider basic and easily extendible transport formulations for lithium batteries consisting of an anode (Li-foil), a separator (polymer electrolyte), and a composite cathode (composed of electrolyte and intercalation particles). Our…

Applied Physics · Physics 2018-12-06 Jeta Molla , Markus Schmuck

Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced significant challenges arising from structural complexity and poor…

Materials Science · Physics 2016-11-15 P. Vajeeston , H. Fjellvåg

Silicon anodes offer high energy densities for next-generation lithium-ion batteries; however, their application is limited by severe volume expansion during cycling. Making silicon porous or nanostructured mitigates this expansion but…

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