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Layered-oxide $\mathrm{LiNi_xMn_yCo_{1-x-y}O_2}$ (NMC) positive electrodes with high Nickel content, deliver high voltages and energy densities. However, a high nickel content, e.g., $x$ = 0.8 (NMC 811), can lead to high surface reactivity,…

材料科学 · 物理学 2023-07-11 Hengning Chen , Zeyu Deng , Yuheng Li , Pieremanuele Canepa

Diamond and diamond-like carbon (DLC) coatings are widely employed for their exceptional mechanical, thermal and chemical properties, but their industrial application is often limited by weak adhesion to metallic substrates. In this work,…

材料科学 · 物理学 2026-01-21 Elisa Damiani , Margherita Marsili , Maria Clelia Righi

Liquid metal batteries (LMBs) are discussed today as a cheap grid scale energy storage, as required for the deployment of fluctuating renewable energies. Built as a stable density stratification of two liquid metals separated by a thin…

We measure and model electroadhesion across multi-asperity silicon interfaces with nanometer scale roughness. When electrically biased, our naturally oxidized silicon interfaces display a leakage current consistent with the Fowler-Nordheim…

软凝聚态物质 · 物理学 2025-08-27 Liang Peng , Stefan Kooij , HT Ciftci , Daniel Bonn , Bart Weber

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…

Heterogeneous multilayered solid-state electrolyte (HMSSE) has been widely explored for their broadened working voltage range and compatibility with electrodes. However, due to the limitations of traditional manufacturing methods such as…

We investigate the stability of electrodeposition at solid-solid interfaces for materials exhibiting an anisotropic mechanical response. The stability of electrodeposition or resistance to the formation of dendrites is studied within a…

材料科学 · 物理学 2017-11-07 Zeeshan Ahmad , Venkatasubramanian Viswanathan

The quest for safe high-energy batteries with "5V-class" cathodes and lithium metal anodes drives research into solid electrolytes. However, reasons for the large charge transfer resistances -- the major bottleneck of all-solid-state…

化学物理 · 物理学 2021-01-26 Katharina Becker-Steinberger , Simon Schardt , Birger Horstmann , Arnulf Latz

A novel approach is presented to efficiently include transport effects in thin active material coating layers of all-solid-state batteries using a dimensionally reduced formulation embedded into a three-dimensionally resolved coupled…

化学物理 · 物理学 2023-07-06 Stephan Sinzig , Christoph P. Schmidt , Wolfgang A. Wall

Employing two-dimensional (2D) materials as anodes for lithium-ion batteries (LIBs) is believed to be an effective approach to meet the growing demands of high-capacity next-generation LIBs. In this work, the first-principles density…

应用物理 · 物理学 2020-07-31 Ke Fan , Yiran Ying , Xin Luo , Haitao Huang

In recent years there has been a major interest in developing all solid state batteries, for the sake of safety (issues due to toxic and flammable organic liquid electrolytes are well known) as well as of high energy density…

材料科学 · 物理学 2021-05-07 L. Cabras , V. Oancea , A. Salvadori

Understanding the electrodes' surface morphology influence on the ions' distribution is essential for designing the supercapacitors with enhanced energy density characteristics. We develop a model for the structure of electrolytes near the…

统计力学 · 物理学 2021-06-30 Timur Aslyamov , Konstantin Sinkov , Iskander Akhatov

Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computational electrochemical methods are essential to ensure their…

化学物理 · 物理学 2017-03-01 Ravishankar Sundararaman , Kathleen Schwarz

Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice…

材料科学 · 物理学 2015-05-13 U. Schwingenschloegl , C. Schuster

Next-generation high-energy-density batteries require ideally stable metal anodes, for which smooth metal deposits during battery recharging are considered a sign of interfacial stability that can ensure high efficiency and long cycle life.…

材料科学 · 物理学 2022-01-11 Bingyuan Ma , Peng Bai

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…

化学物理 · 物理学 2017-07-17 Zhuo Wang , Min Jie Xuan , Hong Jie Xu , Guosheng Shao

We present a study of the solvation properties of model aqueous electrode interfaces. The exposed electrodes we study strongly bind water and have closed packed crystalline surfaces, which template an ordered water adlayer adjacent to the…

统计力学 · 物理学 2015-06-11 David T. Limmer , Adam P. Willard , Paul A. Madden , David Chandler

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…

材料科学 · 物理学 2026-02-02 Boyuan Xu , Chen Qian , Liyi Bai , Chenlu Wang , Feng Ding , Qisheng Wu

Using interlayer interaction to control functional heterostructures with atomic-scale designs has become one of the most effective interface-engineering strategies nowadays. Here, we demonstrate the effect of a crystalline LaFeO3 buffer…

Lithium-ion battery (LIB) sources have played an essential role in self-sustained transportation energy systems and have been widely deployed in the last few years. To realize reliable battery maintenance, identifying its electrochemical…

系统与控制 · 电气工程与系统科学 2023-03-15 Yuxuan Gu , Jianxiao Wang , Yuanbo Chen , Kedi Zheng , Zhongwei Deng , Qixin Chen