AI 中文总结
本研究首次全面调研原子-原子和原子-分子体系中的ICEC,筛选2442种组合,采用渐近近似预测ICEC相关参数,识别出具备良好ICEC性能的候选体系,为大气和天体化学相关研究提供依据。
AI 中文摘要
粒子间库仑电子俘获(ICEC)提供了一种环境辅助的电子附着路径,可与光复合过程竞争。本文首次全面调研了原子-原子和原子-分子体系中的ICEC,筛选2442种组合以寻找适合未来实验研究的候选体系。采用高效渐近近似预测ICEC截面和电子能谱,纳入分子内核运动,忽略粒子间核动力学以实现大规模筛选。识别出数类具有良好ICEC截面及ICEC-光复合比的原子-原子、原子-分子体系,包括卤化物体系及含质子与N₂、O₂、CO、NO等双原子分子的体系,这些结果表明ICEC可能存在于大气和天体化学环境中。
英文摘要
Interparticle Coulombic Electron Capture (ICEC) provides an environment-assisted pathway for electron attachment that can compete with photorecombination. Here, we present the first comprehensive survey of ICEC in atom-atom and atom-molecule systems, screening 2442 combinations in search of promising candidates for future experimental investigation. We employ the efficient asymptotic approximation to predict ICEC cross sections and electron spectra. Intramolecular nuclear motion is included, while interparticle nuclear dynamics is neglected to permit an extensive survey. We identify several classes of atom-atom and atom-molecule systems with favourable ICEC cross sections and ICEC-to-photorecombination ratios, including halogen-halide systems and systems involving a proton and diatomic molecules such as N$_2$, O$_2$, CO, and NO. These findings point to atmospheric and astrochemical environments in which ICEC may be relevant.
Comments12 pages, 9 figures