常温下Tc为109k的超导碳笼网。

IF 14.3 1区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Z F Ye, David J Singh, Y N Huang, Guo-Hua Zhong, Hai-Qing Lin
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引用次数: 0

摘要

通过第一性原理粒子群结构搜索,发现了一种新的碳笼网络,记作C18,是一种低能结构。元素掺杂时,化合物表现出高温电子-声子环境压力超导性,Tc = 79 K,适当的空穴掺杂可将其提高到Tc = 109 K。声子谱分析、分子动力学模拟和相对于实验合成的类似结构的焓差都表明,空穴掺杂的高tc结构是一个可行的实验合成候选者。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Superconducting Carbon-Cage Network with Tc of 109 K at Ambient Pressure.

A novel carbon-cage network was reported, denoted as C18, found to be a low energy structure by first principles particle swarm structure search. The compound exhibits high temperature electron-phonon ambient pressure superconductivity with Tc = 79 K for elemental doping and can be raised to Tc = 109 K by appropriate hole doping. Analyses of the phonon spectra, molecular dynamics simulations, and enthalpy differences relative to analogous structures synthesized experimentally all suggest that the hole-doped high-Tc structure is a viable candidate for experimental synthesis.

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来源期刊
Advanced Science
Advanced Science CHEMISTRY, MULTIDISCIPLINARYNANOSCIENCE &-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
18.90
自引率
2.60%
发文量
1602
审稿时长
1.9 months
期刊介绍: Advanced Science is a prestigious open access journal that focuses on interdisciplinary research in materials science, physics, chemistry, medical and life sciences, and engineering. The journal aims to promote cutting-edge research by employing a rigorous and impartial review process. It is committed to presenting research articles with the highest quality production standards, ensuring maximum accessibility of top scientific findings. With its vibrant and innovative publication platform, Advanced Science seeks to revolutionize the dissemination and organization of scientific knowledge.
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