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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…

The structural stability and electrochemical performance of boron substituted fluorinated graphite as a Li ion batteries cathode material are studied by first principles calculations. The results show that boron substituted fluorinated…

Materials Science · Physics 2020-11-17 Zhiqiang Wang , Lixin Xiong , Wenwei Luo , Bo Xu , Chuying Ouyang

The diversified essential properties of the stage-n graphite alkali-intercalation compounds are thoroughly explored by the first-principles calculations. According to their main features, the lithium and non-lithium materials might be quite…

Materials Science · Physics 2020-06-23 Wei-bang Li , Ngoc Thanh Thuy Tran , Shih-yang Lin , Ming-Fa Lin

X-ray photoelectron spectroscopy (XPS) and resonant x-ray emission spectroscopy (RXES) measurements of pellet and thin film forms of TiO$_2$ with implanted Fe ions are presented and discussed. The findings indicate that Fe-implantation in a…

In this paper the synthesis and study of the structural, morphological, electrical, magnetic and electronic properties of the LaBiFe2O6 novel material are reported. The material was produced using the standard ceramic method. The Rietveld…

Modeling layered intercalation compounds from first principles poses a problem, as many of their properties are determined by a subtle balance between van der Waals interactions and chemical or Madelung terms, and a good description of van…

Materials Science · Physics 2014-10-30 E. Hazrati , G. A. de Wijs , G. Brocks

We fabricated NiFe2O thin films on MgAl2O4 (001) substrates by reactive dc magnetron co-sputtering in a pure oxygen atmosphere at different substrate temperatures. The film properties were investigated by various techniques with a focus on…

Lithium-ion batteries (LIBs) of high energy density and light-weight design, have found wide applications in electronic devices and systems. Degradation mechanisms that caused by lithiation is a main challenging problem for LIBs with high…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Masoud Ahmadi

The X-ray diffraction, Raman and infrared spectroscopies and magnetic measurements were used to explore the correlated changes of the structure, lattice dynamics and magnetic properties of the LuFeO3 nanoparticles, which appear in…

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

We have studied 23 very metal-poor field turnoff stars, specifically chosen to enable a precise measurement of the dispersion in the lithium abundance of the Spite Li plateau. We concentrated on stars having a narrow range of effective…

Astrophysics · Physics 2009-10-31 Sean G. Ryan , John E. Norris , Timothy C. Beers

Optical coherence lifetimes and decoherence processes in erbium-doped lithium niobate (Er$^{3+}$:LiNbO$_3$) crystalline powders are investigated for materials that underwent different mechanical and thermal treatments. Several complimentary…

The microstructure of the commercial alloy AA2195 was investigated on the nano-scale after conducting a T8 tempering. This particular thermo-mechanical treatment of the specimen resulted in the formation of platelet-shaped $T_{1}$…

Materials Science · Physics 2014-12-12 Muna Khushaim , Torben Boll , Judith Seibert , Fredinand Haider , Talaat Al-Kassab

Lithium doped sodium niobate is an ecofriendly piezoelectric material that exhibits a variety of structural phase transitions with composition and temperature. We have investigated the phase stabilities of an important composition…

Compact solid discharge products enable energy storage devices with high gravimetric and volumetric energy densities, but solid deposits on active surfaces can disturb charge transport and induce mechanical stress. In this Letter we develop…

Chemical Physics · Physics 2013-07-26 B. Horstmann , B. Gallant , R. Mitchell , W. G. Bessler , Y. Shao-Horn , M. Z. Bazant

Disordered rock-salt with Li-excess (DRX) cathode phases within the Li-Mn-Ti-O (LMTO) composition space have recently been extensively studied, as they promise to deliver exceptional energy density at low cost in Li-ion batteries. The…

Materials Science · Physics 2026-05-06 Ronald L. Kam , Shilong Wang , Gerbrand Ceder

The influence of Fe content on the three-dimensional (3D) morphology of Fe-rich intermetallic phases (Fe phases), Al2Cu, and pores and mechanical properties of cast Al-5.0Cu-0.6Mn alloys with 0.5 and 1.0 wt. % Fe are characterized using…

Materials Science · Physics 2018-05-04 Yuliang Zhao , Zhi Wang , Chun Zhang , Weiwen Zhang

Compton scattering is one of the promising probe to quantitate of the Li under in-operando condition, since high-energy X-rays which have high penetration power into the materials are used as incident beam and Compton scattered energy…

Bismuth ferrite, BiFeO3, is a multiferroic solid that is attracting increasing attention as a potential photocatalytic material, because the ferroelectric polarisation enhances the separation of photogenerated carriers. With the motivation…

Materials Science · Physics 2022-08-05 Shivani Grover , Keith T. Butler , Umesh V Waghmare , Ricardo Grau-Crespo

Understanding the evolution of the physicochemical bulk properties during the Li deintercalation (charging) process is critical for optimizing battery cathode materials. In this study, we combine X-ray photoelectron spectroscopy (XPS),…