Anomalous thermal conductivity in 2D silica nanocages of immobilizing noble gas atom

• DOI: 10.1063/5.0200462
• Publication Date: 2024-03-20T10:19:12Z
• Authors: Yang Wang; Zhibin Gao; Xiaoying Wang; Jinping Sun; Minxuan Feng; Yuzhou Hao; Xuejie Li; Yinchang Zhao; Xiangdong Ding
• Keywords: Nanocages; Noble gas

Noble gas atoms such as Kr and Xe are byproducts of nuclear fission in plants. How to trap confine these volatile even radioactive gases is particularly challenging. Recent studies have shown that they can be trapped nanocages ultrathin silica. Here, we exhibit with self-consistent phonon theory four-phonon (4ph) scattering where the adsorption noble results an anomalous increase lattice thermal conductivity (κL), while presence Cu doping leads a reduction κL. We trace this behavior host–guest 2D silica interplay tensile strain, rattling modes, redistribution electrons. also find 4ph scatterings play indispensable roles κL Our work illustrates microscopic heat transfer mechanism immobilization inspires further exploring materials kagome glasslike