Gd-doped diamond synthesized using Gd@C<sub>82</sub> under high pressure and high temperature

Liu, Shuhang; Jin, Han; Cui, Rongli; Yang, Xin; Fei, Yunfan; Tang, Xingyu; Wang, Yida; Wang, Yajie; Chen, Yongjin; Feng, Jiajia; Zheng, Haiyan; Li, Kuo; Liu, Xiaoyang

doi:10.1039/d3qi00829k

Inorg. Chem. Front.

2023

DOI: 10.1039/d3qi00829k

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Gd-doped diamond synthesized using Gd@C₈₂ under high pressure and high temperature

Shuhang Liu¹,

Han Jin²,

Rongli Cui³

et al.

Abstract: Diamond is an important industrial material with excellent physical properties. Transition-metal-doped diamond materials would have unexpected unique optical and magnetic properties, but they are difficult to synthesize. In this work,...

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2024

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Insight into the interaction of host–guest structures for pyrrole-based metal compounds and C70

Li,

Zhou,

Wei

et al. 2024

The Journal of Chemical Physics

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This study focuses on the recognition and isolation of fullerenes, which are crucial for further exploration of their physical and chemical properties. Our goal is to investigate the potential recognition of the D5h–C70 fullerene using crown-shaped metal compositions through density functional theory calculations. We assess the effectiveness of fullerene C70 recognition by studying the binding energy. Additionally, various analyses were conducted, including natural bond order charge analysis and reduced density gradient analysis, to understand the interaction mechanism between the host and guest molecules. These investigations provide valuable insights into the nature of the interaction and the stability of the host–guest system. To facilitate the release of the fullerene guest molecule, the vis–NIR spectra were simulated for the host–guest structures. This analysis offers guidance on the specific wavelengths that can be utilized to release the fullerene guest from the host–guest structures. Overall, this work proposes a new strategy for the effective recognition of various fullerene molecules and their subsequent release from host–guest systems. These findings could potentially be applied in assemblies involving fullerenes, advancing their practical applications.

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Insight into the interaction of host–guest structures for pyrrole-based metal compounds and C70

Li,

Zhou,

Wei

et al. 2024

The Journal of Chemical Physics

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show abstract

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Gd-doped diamond synthesized using Gd@C₈₂ under high pressure and high temperature

Abstract: Diamond is an important industrial material with excellent physical properties. Transition-metal-doped diamond materials would have unexpected unique optical and magnetic properties, but they are difficult to synthesize. In this work,...

Cited by 1 publication

References 45 publications

Insight into the interaction of host–guest structures for pyrrole-based metal compounds and C70

Insight into the interaction of host–guest structures for pyrrole-based metal compounds and C70

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Gd-doped diamond synthesized using Gd@C82 under high pressure and high temperature

Abstract: Diamond is an important industrial material with excellent physical properties. Transition-metal-doped diamond materials would have unexpected unique optical and magnetic properties, but they are difficult to synthesize. In this work,...

Cited by 1 publication

References 45 publications

Insight into the interaction of host–guest structures for pyrrole-based metal compounds and C70

Insight into the interaction of host–guest structures for pyrrole-based metal compounds and C70

Contact Info

Product

Resources

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Gd-doped diamond synthesized using Gd@C₈₂ under high pressure and high temperature