Effects of non-monochromaticity in laboratory XPS: Representative example of pyrimidine

IF 1.8 4区化学 Q3 CHEMISTRY, PHYSICAL

Surface Science Pub Date : 2025-08-15 DOI:10.1016/j.susc.2025.122839

Paul S. Bagus , Connie J. Nelin , Michel Sassi , Daniel Baranowski , Tom Autrey , Zdenek Dohnálek , Zbynek Novotny , C. Richard Brundle

引用次数: 0

Abstract

The Mg and Al K_α radiation used in standard laboratory sources for X-Ray Photoelectron Spectroscopy, XPS, is not naturally monochromatic because the spin orbit splitting of the Mg and Al 2p shells is not normally resolved. However, since the 2p spin-orbit splitting of the K_α1 and K_α2 X-Rays in these light atoms is small, it is normally ignored. In the present work, the consequences of the departure from monochromaticity is explicitly shown to be extremely small for the representative case of the C(1 s) ionizations in the XPS of the pyrimidine molecule. This conclusion is general and does not depend on the particular molecule studied since the K_α1 and K_α2 BE splittings reflect the spin-orbit splittings in the X-Ray source.

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非单色性对实验室XPS的影响：以嘧啶为例

用于x射线光电子能谱（XPS）的标准实验室源的Mg和Al Kα辐射不是天然单色的，因为Mg和Al 2p壳层的自旋轨道分裂通常不被分解。然而，由于Kα1和Kα2 x射线在这些轻原子中的2p自旋轨道分裂很小，所以通常被忽略。在本研究中，对于嘧啶分子的XPS中C（1s）电离的代表性情况，偏离单色性的后果被明确地表明是极小的。由于Kα1和Kα2 BE分裂反映了x射线源中的自旋轨道分裂，所以这个结论是一般性的，不依赖于所研究的特定分子。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Surface Science 化学-物理：凝聚态物理

CiteScore

3.30

自引率

5.30%

发文量

137

审稿时长

25 days

期刊介绍： Surface Science is devoted to elucidating the fundamental aspects of chemistry and physics occurring at a wide range of surfaces and interfaces and to disseminating this knowledge fast. The journal welcomes a broad spectrum of topics, including but not limited to: • model systems (e.g. in Ultra High Vacuum) under well-controlled reactive conditions • nanoscale science and engineering, including manipulation of matter at the atomic/molecular scale and assembly phenomena • reactivity of surfaces as related to various applied areas including heterogeneous catalysis, chemistry at electrified interfaces, and semiconductors functionalization • phenomena at interfaces relevant to energy storage and conversion, and fuels production and utilization • surface reactivity for environmental protection and pollution remediation • interactions at surfaces of soft matter, including polymers and biomaterials. Both experimental and theoretical work, including modeling, is within the scope of the journal. Work published in Surface Science reaches a wide readership, from chemistry and physics to biology and materials science and engineering, providing an excellent forum for cross-fertilization of ideas and broad dissemination of scientific discoveries.