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X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be…

应用物理 · 物理学 2025-04-25 Ming Du , Mark Wolfman , Chengjun Sun , Shelly D. Kelly , Mathew J. Cherukara

X-ray absorption near edge structure (XANES) is an essential tool for elucidating the atomic-scale, local three-dimensional (3D) structure of given materials and molecules. The rapid computation of XANES based on molecular 3D structures…

化学物理 · 物理学 2026-02-24 Fei Zhan , Zhi Geng

X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

材料科学 · 物理学 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

Topological materials discovery has emerged as an important frontier in condensed matter physics. While theoretical classification frameworks have been used to identify thousands of candidate topological materials, experimental…

Scanning transmission X-ray microscopy (STXM) is a nanoscale imaging technique that can utilize several powerful contrast mechanisms for the quantitative mapping of chemical and physical materials properties. Spatial resolutions down to…

This chapter introduces the use of X-ray absorption spectroscopy (XAS) in studying the local electronic and atomic structure of high-entropy materials. The element selectivity of XAS makes it particularly suitable to address the challenges…

材料科学 · 物理学 2024-11-12 Alexei Kuzmin

X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive,…

材料科学 · 物理学 2025-04-16 Shubha R. Kharel , Fanchen Meng , Xiaohui Qu , Matthew R. Carbone , Deyu Lu

Time-resolved X-ray absorption spectroscopy (TR-XAS), based on laser-pump/X-ray probe method, is powerful in capturing the change of geometrical and electronic structure of the absorbing atom upon excitation. TR-XAS data analysis is…

化学物理 · 物理学 2017-03-08 Fei Zhan , Ye Tao , Haifeng Zhao

Chemical recycling of plastics to its constituent monomers is a promising solution to develop a sustainable circular plastic economy. An in-situ X-ray absorption spectra (XAS) characterization is an important way to understand the…

X-ray absorption fine structure (XAFS) and x-ray emission spectroscopy (XES) are advanced x-ray spectroscopies that impact a wide range of disciplines. However, unlike the majority of other spectroscopic methods, XAFS and XES are…

This paper provides a brief overview of applications of advanced X-ray spectroscopic techniques that take advantage of the resonant inelastic X-ray scattering (RIXS) in the hard and tender x-ray range and have recently become available for…

材料科学 · 物理学 2014-01-08 K. O. Kvashnina , S. M. Butorin

Hyperspectral X-rays imaging holds promise for three-dimensional (3D) chemical analysis but remains limited in simultaneously capturing phase and absorption information due to complex setups and data burdens. We introduce quantitative X-ray…

光学 · 物理学 2025-04-30 Herve Hugonne , KyeoReh Lee , Sugeun Jo , Jun Lim , YongKeun Park

X-ray absorption spectroscopy (XAS) is a commonly-employed technique for characterizing functional materials. In particular, x-ray absorption near edge spectra (XANES) encodes local coordination and electronic information and machine…

Nowadays, modern electron microscopes deliver images at atomic scale. The precise atomic structure encodes information about material properties. Thus, an important ingredient in the image analysis is to locate the centers of the atoms…

计算机视觉与模式识别 · 计算机科学 2017-09-13 Benjamin Berkels , Benedikt Wirth

Accurate classification of molecular chemical motifs from experimental measurement is an important problem in molecular physics, chemistry and biology. In this work, we present neural network ensemble classifiers for predicting the presence…

材料科学 · 物理学 2023-06-29 Matthew R. Carbone , Phillip M. Maffettone , Xiaohui Qu , Shinjae Yoo , Deyu Lu

X-ray microscopy has been an indispensable tool to image nanoscale properties for materials research. One of its recent advances is to extend microscopic studies to the time domain for visualizing the dynamics of nanoscale phenomena.…

介观与纳米尺度物理 · 物理学 2025-03-25 Haidan Wen , Mathew J. Cherukara , Martin V. Holt

Transition metal oxides (TMOs) exhibit a broad spectrum of electronic, magnetic, and optical properties, making them intriguing materials for various technological applications. Soft x-ray absorption spectroscopy (XAS) is widely used to…

Imaging of nanoscale magnetic textures within extended material systems is of critical importance both to fundamental research and technological applications. Whilst high resolution magnetic imaging of thin nanoscale samples is…

Knowledge gained through X-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. Atomic details of sample structures is achievable by…

光学 · 物理学 2016-09-14 Hong Yu , Ronghua Lu , Shensheng Han , Honglan Xie , Guohao Du , Tiqiao Xiao , Daming Zhu
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