TEM-EELS study of compressed graphite phase in high-pressure and high-temperature treated neutron-irradiated graphite

IF 3.9 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Carbon Trends Pub Date : 2025-04-01 Epub Date: 2025-02-21 DOI:10.1016/j.cartre.2025.100487
Yuta Ohsawa , Yohei K. Sato , Tomoya Saito , Masami Terauchi , Takashi Kitazume , Takumi Tokunaga , Yuji Higo , Keisuke Niwase , Masahito Niibe , Shin-ichi Honda
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Abstract

The creation of new carbon materials has been attempted by treating neutron-irradiated graphite at high pressure and high temperature (HPHT) conditions. Recently, the formation of the compressed graphite (CG) with a (0002) plane distance of 3.2 Å, which is narrower than that of the graphite with a plane distance of 3.4 Å, was reported in the neutron-irradiated graphite processed under an HPHT condition. It is not clear what electronic structure, properties, and formation mechanism of the CG phase. In this study, electron energy-loss spectroscopy using a transmission electron microscope was applied to elucidate the electronic structure of the CG phase in the neutron-irradiated graphite sample with the HPHT treatment. The atomic layer distance of 3.2 Å for the CG phase was confirmed by an electron diffraction pattern. Dark-field images of 0002 spots of the CG phase showed the spatial distribution of the CG phase in the specimen. The electron energy-loss spectrum of the C K-edge of the CG showed a decrease in π* and σ* peak intensities, and the onset of the σ* peak shifted to the lower energy side compared with those of graphite. A first-principles calculation suggested that the electronic structure of graphite with the interlayer bond relating to the interstitial atoms and lattice vacancies should be reasonable for the electronic structure of the CG examined. Thus, the interlayer bonds formed by the interstitial atoms and the lattice vacancies introduced by neutron irradiation should contribute to the formation of the CG phase.

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高压高温处理中子辐照石墨中压缩石墨相的TEM-EELS研究
在高压和高温(HPHT)条件下处理中子辐照石墨,尝试创造新的碳材料。最近有报道称,在高温高压条件下,中子辐照石墨形成了平面距离为3.2 Å(0002)的压缩石墨(CG),比平面距离为3.4 Å的石墨更窄。目前还不清楚CG相的电子结构、性质和形成机理。在本研究中,利用透射电子显微镜的电子能量损失谱分析了HPHT处理后中子辐照石墨样品中CG相的电子结构。电子衍射图证实了CG相的原子层距为3.2 Å。CG相的0002个点的暗场图像显示了CG相在样品中的空间分布。石墨的C - k边的电子能量损失谱显示π*和σ*峰强度降低,σ*峰的起始点较石墨的起始点低。第一性原理计算表明,石墨的层间键与间隙原子和晶格空位有关的电子结构应该是合理的。因此,由间隙原子形成的层间键和中子辐照引入的晶格空位应该有助于CG相的形成。
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来源期刊
Carbon Trends
Carbon Trends Materials Science-Materials Science (miscellaneous)
CiteScore
4.60
自引率
0.00%
发文量
88
审稿时长
77 days
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