Investigation of near-surface defects of nanodiamonds by high-frequency EPR and DFT calculation

Investigation of near-surface defects of nanodiamonds by high-frequency EPR and DFT calculation
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DOI:
10.1063/1.5085351
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发表时间:
2019-04-07
影响因子:
4.4
通讯作者:
Takahashi, S.
Takahashi, S.
中科院分区:
化学2区
文献类型:
--
作者:
Peng, Z.;Biktagirov, T.;Takahashi, S.

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纳米金刚石(ND)托管氮空位(NV)中心是量子传感应用的一个有前途的平台。在ND中使用NV中心的应用的灵敏度通常由于ND表面附近的顺磁性杂质含量的存在而受到限制。在这里,我们调查近表面的顺磁性杂质在ND。使用高频(HF)电子顺磁共振光谱,探测ND壳内的近表面顺磁杂质,其g值测定为2.0028(3)。此外,HF电子-电子双共振检测的核磁共振谱和第一性原理计算表明,近表面杂质的可能结构是带负电荷的空位V-。近表面杂质的识别为提高纳米结构的NV特性和基于NV的传感技术提供了一条有前途的途径。由AIP Publishing授权出版。
Nanodiamonds (NDs) hosting nitrogen-vacancy (NV) centers are a promising platform for quantum sensing applications. Sensitivity of the applications using NV centers in NDs is often limited due to the presence of paramagnetic impurity contents near the ND surface. Here, we investigate near-surface paramagnetic impurities in NDs. Using high-frequency (HF) electron paramagnetic resonance spectroscopy, the near-surface paramagnetic impurity within the shell of NDs is probed and its g-value is determined to be 2.0028(3). Furthermore, HF electron-electron double resonance-detected nuclear magnetic resonance spectroscopy and a first principles calculation show that a possible structure of the near-surface impurity is the negatively charged vacancy V-. The identification of the near-surface impurity by the present investigation provides a promising pathway to improve the NV properties in NDs and the NV-based sensing techniques. Published under license by AIP Publishing.