用紫外拉曼光谱和声子约束模型评价超晶金刚石的尺寸

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2025-10-02 DOI:10.1039/d5cp02967h

Niranjan Kumar, Kalpataru Panda, Alexey Titovich Kozakov, Anatolay Nikolskii, V. A. Volodin, Sergey V. Goryainov

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引用次数: 0

摘要

利用紫外拉曼光谱和x射线光电子能谱研究了超晶金刚石薄膜中的声子模式和化学键。XPS分析显示了明显的碳杂化状态，超晶金刚石膜以sp3键为主，而金刚石纳米线膜由于sp2杂化而降低了sp3含量。通过近共振增强的紫外拉曼光谱选择性探测sp 3键合t2g声子模式，通过特征声子约束效应，发现超晶金刚石的晶粒尺寸为5.6 nm，纳米线的晶粒尺寸为2.1 nm。测量的尺寸与理论约束模型一致，证实了声子在纳米金刚石域中的局部化。综合结果表明，纳米尺度的碳杂化控制着材料的性质，xps导出的sp 3 /sp 2比值与拉曼测量的声子约束效应直接相关。

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Evaluation of ultrananocrystalline diamond size by UV Raman spectroscopy and phonon confinement model

The study applied ultraviolet (UV) Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) to investigate phonon modes and chemical bonding in ultrananocrystalline diamond films. XPS analysis revealed distinct carbon hybridization states, with the ultrananocrystalline diamond film exhibiting dominant sp 3 bonding and the diamond nanowire film showing reduced sp 3 content alongside sp 2 hybridization. The sp 3bonded T 2g phonon mode, selectively probed by UV Raman spectroscopy via near-resonance enhancement, demonstrated crystallite sizes of 5.6 nm for ultrananocrystalline diamond and 2.1 nm for nanowires through characteristic phonon confinement effects. The measured dimensions showed quantitative agreement with theoretical confinement models, confirming phonon localization within nanodiamond domains. The combined results demonstrated that nanoscale carbon hybridization governs the material properties, with XPS-derived sp 3 /sp 2 ratios directly correlating with Raman-measured phonon confinement effects.

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.