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Related papers: High capacity NbS2-based anodes for Li-ion batteri…

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Growing energy storage demands on lithium-ion batteries necessitate exploration of new electrochemical materials as next-generation battery electrode materials. In this work, we investigate the previously unexplored electrochemical…

Materials Science · Physics 2022-07-18 M Brooks Tellekamp , Anna Osella , Karen N Heinselman , Adele C Tamboli , Chunmei Ban

Spatially-resolved neutron powder diffraction with gauge volume 2x2x20 mm3 has been applied to probe the lithium concentration in the graphite anode of different Li-ion cells of 18650-type in situ in charged state. Structural studies…

Materials Science · Physics 2015-03-27 A. Senyshyn , M. J. Mühlbauer , O. Dolotko , M. Hofmann , H. Ehrenberg

Lithium ion batteries have been a central part of consumer electronics for decades. More recently, they have also become critical components in the quickly arising technological fields of electric mobility and intermittent renewable energy…

Computational Physics · Physics 2021-11-15 Chiara Panosetti , Simon B. Anniés , Cristina Grosu , Stefan Seidlmayer , Christoph Scheurer

Volume expansion and elastic softening of Sn anode on lithiation result in mechanical degradation and pulverization of Sn, affecting the overall performance of Li-Sn batteries. It can however be overcome by using exotic high pressure…

Materials Science · Physics 2016-12-21 Raja Sen , Priya Johari

Due to its exceptional lithium storage capacity silicon is considered as a promising candidate for anode material in lithium-ion batteries (LIBs). In the present work we demonstrate that methods of the soft X-ray emission spectroscopy…

Poor electrical conductivity and large volume expansion during repeated charge and discharge is what has characterized many battery electrode materials in current use. This has led to 2D materials, specifically multi-layered 2D systems,…

Materials Science · Physics 2020-05-14 Gladys King'ori , Cecil N M Ouma , Abshiek Mishra , George O Amolo , Nicholas Makau

Porous electrodes composed of multiphase active materials are widely used in Li-ion batteries, but their dynamics are poorly understood. Two-phase models are largely empirical, and no models exist for three or more phases. Using a modified…

Chemical Physics · Physics 2014-02-07 Todd R. Ferguson , Martin Z. Bazant

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.…

MXenes' tunable properties make them excellent candidates for many applications in future nanoelectronics. In this work, we explore the suitability of Sc$_2$CX (X=N$_2$, ON, O$_2$) MXenes to act as the active anode materials in Na-ion based…

Materials Science · Physics 2023-01-24 S. Özcan , B. Biel

Metal-ion batteries (MIBs) are essential for transitioning to a cleaner and more sustainable energy future. By employing the density functional formalism, we have investigated the hexagonal (h) monolayer of BeS and BeTe as electrode…

Materials Science · Physics 2025-11-03 Hetvi Jadav , Sadhana Matth , Himanshu Pandey

The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…

Materials Science · Physics 2022-03-11 Giovanna Bucci , Tushar Swamy , W. Craig Carter , Morad Behandish

A new superstructure of layered pristine LiNiO2 (LNO) was obtained optimizing a large supercell of the 166 space group, the one observed experimentally by XRD, and relaxing both cell parameters and internal positions. The crystal structure…

Materials Science · Physics 2023-10-19 Saleem Yousuf , Md Maruf Mridha , Rita Magri

Natural abundance of sodium and its similar behavior to lithium triggered recent extensive studies of cost-effective sodium-ion batteries (SIBs) for large-scale energy storage systems. A challenge is to develop electrode materials with a…

Materials Science · Physics 2017-09-19 Gum-Chol Ri , Song-Hyok Choe , Chol-Jun Yu

The electric properties of a model fast-ion electrolyte ((100-x)SiS2-xNa2S) glass are investigated by means of classical molecular dynamics simulations. These systems appear promising for battery applications and the conductivity is thought…

Materials Science · Physics 2025-03-31 Léo Legrand , Louis-Martin Poitras , Nicolas Sator , Matthieu Micoulaut

Conversion cathode materials are gaining interest for secondary batteries due to their high theoretical energy and power density. However, practical application as a secondary battery material is currently limited by practical issues such…

Borophene, the boron atom analogue to graphene, being atomic thick have been just recently experimentally fabricated. In this work, we employ first-principles density functional theory calculations to investigate the interaction of Ca, Mg,…

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

The performance of lithium and sodium ion batteries relies notably on the accessibility to carbon electrodes of controllable porous structure and chemical composition. This work reports a facile synthesis of well-defined porous N-doped…

The search for an alternative high-voltage polyanionic cathode material for Li-ion batteries is vital to improve the energy densities beyond the state-of-the-art, where sulfate frameworks form an important class of high-voltage cathode…

Metal anodes provide the highest energy density in batteries. However, they still suffer from electrode/electrolyte interface side reactions and dendrite growth, especially under fast-charging conditions. In this paper, we consider a…

Materials Science · Physics 2025-07-29 Hamed Taghavian , Viktor Vanoppen , Erik Berg , Peter Broqvist , Jens Sjölund

In this work, we report on the electrochemical behavior of nitrided spaced TiO$_2$ nanotubes conformally coated with a nanocrystalline Nb$_2$O$_5$ layer and find for these hierarchical structures an excellent supercapacitor performance.…

Applied Physics · Physics 2020-05-05 Selda Ozkan , Nhat Truong Nguyen , Imgon Hwang , Anca Mazare , Patrik Schmuki