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Updated: Jul 30, 2026

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检查原始和有缺陷的波格拉芬片上的O吸附:一项DFT研究

David A F Martins1, Kleuton A Lima1, Fábio F Monteiro2

  • 1Department of Physics, State University of Piauí, 64002-150, Teresina, Piauí, Brazil.

Journal of molecular modeling
|September 29, 2023
PubMed
概括

波普格拉芬 (PopG) 有效地吸附氧气 (O2) 分子. 用或对PopG进行兴奋剂显著增强了这种吸附,将其转化为潜在的传感器应用的化学吸附.

关键词:
两维材料是二维材料.碳是所有型的碳.密度函数理论密度函数理论O 吸附吸附方式波普格拉芬 (Popgraphene) 是一种可见的

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相关概念视频

IR Frequency Region: Fingerprint Region01:03

IR Frequency Region: Fingerprint Region

IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the C=O, C=N, and C=C occur between 1600–1850 cm−1.
The...