Straight sections of step edges on a NiAl(110) curved single crystal surface used to calculate an approximation of step formation energy

IF 2.1 4区化学 Q3 CHEMISTRY, PHYSICAL Surface Science Pub Date : 2024-07-24 DOI:10.1016/j.susc.2024.122545

Jessika M. Piñeiros-Bastidas , Sabine V. Auras , Ludo B.F. Juurlink

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Abstract

Curved crystals may feature a smooth transition between different vicinal surfaces. Using one curved single crystal to study different vicinal surfaces requires less experimental time than using several single flat crystals. Here, we study step distributions on the (110) plane of a curved NiAl single-crystal surface, which consists of alternating Ni and Al atom rows. We use scanning tunneling microscopy under UHV conditions at room temperature and our home-built Python-based analysis script to obtain statistical information on kink and straight sections along step-edge distributions from STM images. We perform this analysis mainly to study this single crystal’s kink distributions and step termination We propose a new method to estimate the step formation energy based on step edge analysis and statistical mechanics. With this method, we find an approximation of the step formation energy for NiAl(110).

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用于计算阶梯形成能量近似值的镍铝(110)弧形单晶表面阶梯边缘直线剖面图

曲面晶体可能具有不同临界表面之间平滑过渡的特点。与使用多个平面单晶体相比，使用一个曲面单晶体来研究不同的临界表面所需的实验时间更短。在此，我们研究了镍铝单晶曲面 (110) 平面上的阶跃分布，该曲面由交替排列的镍和铝原子组成。我们使用室温超高真空条件下的扫描隧道显微镜和自制的基于 Python 的分析脚本，从 STM 图像中获取阶梯边缘分布的扭结和直线部分的统计信息。我们提出了一种基于阶跃边分析和统计力学的估算阶跃形成能量的新方法。利用这种方法，我们找到了 NiAl(110) 的阶跃形成能近似值。

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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.