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Advances in lithium-metal anodes have inspired interest in discovery of Li-free cathodes, most of which are natively found in their charged state. This is in contrast to today's commercial lithium-ion battery cathodes, which are more stable…

Materials Science · Physics 2024-09-12 Haoming Howard Li , Qian Chen , Gerbrand Ceder , Kristin A. Persson

The lithium (Li) metal anode is essential for next generation high energy density rechargeable Li metal batteries. Although extensive studies have been performed to prolong the cycle life of Li metal batteries, the calendar life, which…

Materials Science · Physics 2022-04-26 Bingyu Lu , Weikang Li , Diyi Cheng , Miguel Ceja , Wurigumula Bao , Chengcheng Fang , Ying Shirley Meng

Many transition metal oxides (TMOs) are Mott insulators due to strong Coulomb repulsion between electrons, and exhibit metal-insulator transitions (MITs) whose mechanisms are not always fully understood. Unlike most TMOs, minute doping in…

MoO2/C-composites have been fabricated for the first time by a tartaric acid/glucose-assisted sol-gel method with post-annealing at 500 {\deg}C for 1 h in N2 flow. The synthesized materials were fully characterized with respect to…

Materials Science · Physics 2020-12-11 G. S. Zakharova , L. Singer , Z. A. Fattakhova , S. Wegener , E. Thauer , Q. Zhu , E. V. Shalaeva , R. Klingeler

The rechargeable aprotic Li-air (O2) battery is a promising potential technology for next generation energy storage, but its practical realization still faces many challenges. In contrast to the standard Li-O2 cells, which cycle via the…

Chemical Physics · Physics 2018-05-09 Tao Liu , Michal Leskes , Wanjing Yu , Amy J. Moore , Lina Zhou , Paul M. Bayley , Gunwoo Kim , Clare P. Grey

We discover presence of chemical inductive effects in phase separating ion intercalation energy storage materials, specifically in lithium iron phosphate (LFP) and also lithium titanate oxide (LTO). These materials features fast…

Materials Science · Physics 2022-06-17 Klemen Zelič , Igor Mele , Arghya Bhowmik , Tomaž Katrašnik

Lithium metasilicate (Li2SiO3) has attracted considerable interest as a promising electrolyte material for potential use in lithium batteries. However, its electronic properties are still not thoroughly understood. In this work, density…

Computational Physics · Physics 2020-01-22 Nguyen Thi Han , Vo Khuong Dien , Ngoc Thanh Thuy Tran , Duy Khanh Nguyen , Wu-Pei Su , Ming-Fa Lin

We have studied the electrochemical performance of the delta-5 boron monolayer as an anode material for alkali metal (AM) and alkali earth metal (AEM) ion batteries using density functional theory simulations. The electronic properties,…

Materials Science · Physics 2025-01-28 Ajay Kumar , Prakash Parida

Rb2Ti2O5 (RTO) has recently been demonstrated to be a solid electrolyte, producing colossal capacitance when interfaced with metals. In order to understand the mechanisms leading to such colossal equivalent permittivity (up to four orders…

Other Condensed Matter · Physics 2018-12-24 Sofia de Sousa Coutinho , Rémi Federicci , Brigitte Leridon , Stéphane Holé

We develop highly corrosion-resistant and conductive Ti-Nb-O coatings for metallic components -- bipolar plates (BPPs) and porous transport layers (PTLs) -- in PEM water electrolyzers. Using reactive high-power impulse magnetron sputtering…

Lithium fluorinated carbon is one of the most promising chemistries for high-energy-density primary energy storage systems in applications where rechargeability is not required. Though Li/CFx demonstrates high energy density under ambient…

Lithium-air batteries have been considered as ultimate solutions for the power source of long-range electrified transportation, but state-of-the-art prototypes still suffer from short cycle life, low efficiency and poor power output. Here,…

Chemical Physics · Physics 2016-03-24 Peng Bai , Martin Z. Bazant

The biggest challenge for the commercialization of layered structured nickel rich lithium transition metal oxide cathode is the capacity and voltage fading. Resolving this problem over the years follows an incremental progress. In this…

Materials Science · Physics 2017-10-18 Pengfei Yan , Jianming Zheng , Jian Liu , Biqiong Wang , Xueliang Sun , Chongmin Wang , Ji-Guang Zhang

Silicon suboxide is currently considered as a unique candidate for lithium ion batteries anode materials due to its considerable capacity. However, no adequate information exist about the role of oxygen content on its performance. To this…

Materials Science · Physics 2017-03-28 Obaidur Rahaman , Bohayra Mortazavi , Timon Rabczuk

Battery interfaces critically influence lithium-metal battery performance through their role in ion diffusion and dendrite formation. However, structural characterization of these interfaces has remained challenging due to limitations in…

Materials Science · Physics 2025-05-08 Hyeongjun Koh , Eric Detsi , Eric A. Stach

Rechargeable lithium metal batteries (LMBs) with an ultrahigh theoretical energy density have attracted more and more attentions for their crucial applications of portable electronic devices, electric vehicles, and smart grids. However, the…

Materials Science · Physics 2024-10-22 Yanchen Fana , Xiang Chenb , Dominik Legut , Qianfan Zhang

The fate of electric dipoles inside a Fermi sea is an old issue, yet poorly-explored. Sr$_{1-x}$Ca$_x$TiO$_{3}$ hosts a robust but dilute ferroelectricity in a narrow ($0.002<x<0.02$) window of substitution. This insulator becomes metallic…

In resent years ANN is widely reported for modeling in different areas of science including electro chemistry. This includes modeling of different technological batteries such as lead acid battery, Nickel cadmium batteries etc. Lithium ion…

Other Computer Science · Computer Science 2010-04-27 S. Ramakrishnan , S. Venugopalan , A. Ebenezer Jeyakumar

This paper presents the current state of mathematical modelling of the electrochemical behaviour of lithium-ion batteries as they are charged and discharged. It reviews the models developed by Newman and co-workers, both in the cases of…

Chemical Physics · Physics 2020-02-04 Giles W Richardson , Jamie M Foster , Rahifa Ranom , Colin P Please , Angel M Ramos

The performances of lithium-ion batteries are set by the electrodes materials capacity to exchange lithium ions and electrons faster and reversibly. To this goal Ni-rich layered metal oxides, especially LiNiO2, are attractive electrode…

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