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Silicene, germanene and stanene likely to graphene are atomic thick material with interesting properties. We employed first-principles density functional theory (DFT) calculations to investigate and compare the interaction of Na or Li ions…

Materials Science · Physics 2017-04-17 B Mortazavi , A Dianat , G Cuniberti , T Rabczuk

The demand for lithium ion batteries (LIBs) on the market has gradually risen, with production increasing every year. To meet industrial needs, the development of digital twins designed to optimize LIB manufacturing processes is essential.…

We report real-time average stress measurements on composite silicon electrodes made with two different binders [Carboxymethyl cellulose (CMC), and polyvinylidene fluoride (PVDF)] during electrochemical lithiation and delithiation. During…

By 2035, the need for battery-grade lithium is expected to quadruple. About half of this lithium is currently sourced from brines and must be converted from a chloride into lithium carbonate (Li2CO3) through a process called softening.…

It is shown that continuously occurring electrolyte-reduction reaction on freshly-exposed electrode surfaces during lithiation/delithiation cycles causes the lowering of cycling efficiency, and hence, capacity fade in well-cycled silicon…

Materials Science · Physics 2020-02-19 Vijay A. Sethuraman

The kinetic performance of graphite particles is difficult to deconvolute from half-cell experiments, where the influences of the working electrode porosity and the counter electrode contribute nonlinearly to the electrochemical re-sponse.…

Materials Science · Physics 2015-03-13 Michael Heß , Petr Novák

Slow ionic transport and high voltage drop (IR drop) of homogeneous porous electrodes are the critical causes of severe performance degradation of lithium-ion (Li-ion) batteries under high charging rates. Herein, we demonstrate that a…

Materials Science · Physics 2021-07-30 Chenxi Sui , Yao-Yu Li , Xiuqiang Li , Genesis Higueros , Keyu Wang , Wanrong Xie , Po-Chun Hsu

We have developed a technique to tune the carrier density in graphene using a lithium-ion-based solid electrolyte. We demonstrate that the solid electrolyte can be used as both a substrate to support graphene and a back gate.It can induce a…

Materials Science · Physics 2016-10-25 Jialin Zhao , Meng Wang , Hui Li , Xuefu Zhang , Lixing You , Shan Qiao , Bo Gao , Xiaoming Xie , Mianheng Jiang

The growing demand for efficient energy storage has driven the search for advanced anode materials for lithium- and sodium-ion batteries (LIBs and SIBs). In this context, we report the application of HOP-graphene (a 5-6-8-membered 2D carbon…

Van der Waals (vdW) heterostructures have attracted intense interest worldwide as they offer several routes to design materials with novel features and wide-ranging applications. Unfortunately, at present, vdW heterostructures are…

Computational Physics · Physics 2024-05-14 Amreen Bano , Dan T Major

Designing anode materials with high lithium specific capacity is crucial to the development of high energy-density lithium ion batteries. Herein, a distinctive lithium growth mechanism, namely, the restricted multilayered growth for…

Materials Science · Physics 2022-08-29 Ning Lu , Kai Wang , Jiaxin Jiang , Hongyan Guo , Gui Zhong Zuo , Zhiwen Zhuo , Xiaojun Wu , Xiao Cheng Zeng

Batteries are the most abundant form of electrochemical energy storage. Lithium and sodium ion batteries account for a significant portion of the battery market, but high-performance electrochemically active materials still need to be…

A thick electrode with high areal capacity has been developed as a strategy for high-energy-density lithium-ion batteries, but thick electrodes have difficulties in manufacturing and limitations in ion transport. Here, we reported a new…

Materials Science · Physics 2022-12-28 Soyeon Park , Kaiyue Deng , Baohui Shi , Yuanyuan Shang , Kun , Fu

Nickel-rich layered oxides have been widely used as positive electrode materials for high-energy-density lithium-ion batteries, but their degradation has severely affected cell performance, in particular at a high voltage and temperature.…

Materials Science · Physics 2023-04-04 Mingzhao Zhuo , Gregory Offer , Monica Marinescu

Density-functional-theory (DFT) calculations have been performed on the Li-Si and Li-Ge systems. Lithiated Si and Ge, including their metastable phases, play an important technological r\^ole as Li-ion battery (LIB) anodes. The calculations…

Materials Science · Physics 2015-06-18 Andrew J. Morris , C. P. Grey , C. J Pickard

The development of sustainable transportation and communication systems requires an increase in both energy density and capacity retention of Li-batteries. Using substrates forming a solid solution with body centered cubic Li enhances the…

A rechargeable lithium metal battery (LMB), which uses metallic lithium at the anode, is among the most promising technologies for next generation electrochemical energy storage devices due to its high energy density, particularly when Li…

Materials Science · Physics 2016-04-15 Lin Ma , Mun Sek Kim , Lynden A. Archer

A high reversible capacity is a key feature for any rechargeable battery. In the lithium-ion battery technology, tin-oxide anodes do fulfill this requirement, but a fast loss of capacity hinders a full commercialization. Using…

Materials Science · Physics 2015-09-23 Andreas Pedersen , Petr A. Khomyakov , Mathieu Luisier

Zinc-ion batteries are promising alternatives to lithium-ion batteries, offering advantages in safety, cost, and environmental impact. However, their performance is often limited by the functioning of the zinc anode. This study employs…

Materials Science · Physics 2025-03-31 Xinxin Hu , Shivam Dangwal , Xucheng Wang , Fan Zhang , Haijuan Kong , Jun Li , Kaveh Edalati

In the quest for better energy storage solutions, the role of designing effective electrodes is crucial. Previous research has shown that using materials like single-side fluorinated graphene can improve the stability of ion insertion in…

Materials Science · Physics 2024-08-28 Yu-Hsiu Lin , Jose L. Mendoza-Cortes
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