我们是在建造和使用集人类科技之大成的仪器——封东来
文末汇总了近两年130+篇同步辐射技术在单原子催化研究中的顶级期刊，供大家参考和学习。识别上方二维码，回复“411”即可获取资料！
同步辐射装置被誉为科技的“灯塔”，是集现代科技之大成的大型科学装置，是支撑多学科前沿研究和产业研发的平台。众所周知，同步辐射X射线吸收精细结构（XAFS）技术在揭示材料的电子结构和配位环境方面具有无可比拟的优势。
第十三届全国X射线吸收精细结构(XAFS)会议中提到，近两年单原子的出现加速了同步辐射的发展，XAFS的应用在全球范围内日益普及，多数用户通过多种途径积极利用XAFS进行深入的材料表征，显著提升了他们的研究水平。那么，同步辐射XAFS到底能为我们做什么呢?总结下来大概有以下几点：
- XANES (X-ray Absorption Near Edge Structure)
价态分析：通过观察吸收边的位置偏移（向高能量方向偏移表明价态升高）或白线峰的强度/面积（增强或面积增大通常与价态升高相关），可以推断样品的平均价态。
PCA主元分析（Principal Component Analysis）：本质上是一种数学中的线性代数变化方法，可以分析复杂体系中的吸收谱。
LCF组分分析（Linear Combination Fitting）：定量分析已知样品中不同化学组分的比例。
近边结构计算：确定样品的立体几何结构模型。
- EXAFS (Extended X-ray Absorption Fine Structure)
结构参数分析：拟合EXAFS数据能够精确获得中心原子周围配位原子的类型、数量以及它们之间的平均距离等结构参数。
- 小波分析
三维信息表示：小波变换提供了一个三维的数据表示，其中横轴对应于K空间（波矢空间），纵轴对应于R空间（实空间距离），而不同的颜色代表峰的强度。这种表示不仅可以区分配位原子的键长，还能定性地区分配位原子的种类（原子序数较大的元素在图中的位置更靠右）。
下面，我们将通过一篇顶刊，学习如何分析同步辐射XAFS数据。
文章介绍
析氧反应（OER）对于可再生能源转换技术至关重要，但催化剂的结构–活性关系和潜在的催化机制尚未完全了解。在此，浙江师范大学Haiyan Wang，挪威东南大学Yong Hu，浙江农林科技大学Hao Huang展示了一种通过阳离子和阴离子双重掺杂同时实现晶格氧活化和增强局部电场来促进 OER 的策略。
（文献来源：Ye, P.; Fang, K.; Wang, H.; Wang, Y.; Huang, H.; Mo, C.; Ning, J.; Hu, Y. Lattice oxygen activation and local electric field enhancement by co-doping Fe and F in CoO nanoneedle arrays for industrial electrocatalytic water oxidation. Nature Communications 2024, 15 (1), 1012. DOI: 10.1038/s41467-024-45320-0.）
文章要点
1）研究人员构建了 Fe 和 F 共掺杂 CoO 纳米针的粗糙阵列，并在 500 mA cm–2下实现了 277 mV 的低过电势。双掺杂的 Fe 和 F 可以协同调整 CoO 的电子特性，从而提高金属–氧共价性并刺激晶格氧活化。
2）特别是，Fe掺杂引起尖端增强和邻近效应的协同效应，有效地集中OH−离子，优化反应能垒并促进O2解吸。
这项工作展示了一种耦合晶格氧和局部电场以实现有效电催化水氧化的概念策略。
图文解析
图 1. a 归一化的 CoO NNAs、F-CoO NNAs 和 Fe, F-CoO NNAs 的 O K 边光谱；b 归一化的 Co K 边 XANES 光谱；c Co K 边的 FT-EXAFS 光谱；d-i CoO NNAs、F-CoO NNAs、Fe, F-CoO NNAs 和标样（包括 Co 箔、标准 CoO 和 Co2O3）的 WT-EXAFS 分析。
图a展示了CoO纳米针阵列（NNAs）、F-CoO NNAs和Fe, F-CoO NNAs的O K边光谱，其中532 eV处的O K边前峰归因于O 2p态与Co 3d态的杂化。正如所描述的，F-CoO NNAs的O K边前峰几乎消失，表明F掺杂时发生了氧解离。值得注意的是，与CoO NNAs相比，Fe, F-CoO NNAs呈现出更强烈的边前锋，表明金属–氧共价性增强。Co K边X射线吸收近边结构（XANES）光谱显示（图b），这三个样品的吸收边位于标样CoO和Co2O3之间，表明Co的价态介于+2和+3之间。与CoO NNAs相比，Fe, F-CoO NNAs观察到向低能量的移动，表明Co的价态较低。Co K边的傅立叶变换扩展X射线吸收精细结构（FT-EXAFS）光谱揭示了在~1.4和~2.4 Å处的两个壳层，分别对应于Co−O和Co−Co散射路径（图c）。Co K边振荡图的几乎重叠以及未掺杂和掺杂样品中Co−O和Co−Co的相似距离表明，Fe和F的掺入没有引起CoO的结构显著变化。这一点通过相似的小波变换（WT）图进一步证实（图2d-i）。
为了帮助大家更好地了解同步辐射技术的应用，小编特别汇集了两年内超过130篇发表在顶级学术期刊上的研究成果。这些研究均聚焦于利用同步辐射技术深入探究单原子催化的机制和特性。以下是一些精选的论文，供大家研究和学习参考。
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