Aptekarev Theodore, Furman Gregory, Sokolovsky Vladimir, Panich Alexander, Xia Yang
Physics Department, Ben Gurion University of the Negev, Beer Sheva, Israel.
Physics Department, Oakland University, Rochester, MI, US.
Res Sq. 2023 May 10:rs.3.rs-2893081. doi: 10.21203/rs.3.rs-2893081/v1.
We have experimentally and theoretically investigated multicomponent H nuclear magnetic resonance (NMR) echo decays in a-Si:H films containing anisotropic nanopores, in which randomly moving hydrogen molecules are entrapped. The experimental results are interpreted within the framework of the previously developed theory, in which a nanoporous material is represented as a set of nanopores containing liquid or gas, and the relaxation rate is determined by the dipole-dipole spin interaction, considering the restricted motion of molecules inside the pores. Previously, such characteristics of a nanostructure as the average volume of pores and their orientation distribution were determined from the angular dependences of the spin-spin and spin-lattice relaxation times. We propose a new approach to the analysis of the NMR signal, the main advantage of which is the possibility of obtaining nanostructure parameters from a single decay of the echo signal. In this case, there is no need to analyze the anisotropy of the relaxation time , the determination of which is a rather complicated problem in multicomponent decays. Despite multicomponent signals, the fitting parameter associated with the size and shape of nanopores is determined quite accurately. This made it possible to determine the size and shape of nanopores in a-Si:H films, herewith our estimates are in good agreement with the results obtained by other methods. The fitting of the decays also provides information about the nanostructure of the sample, such as the standard deviations of the angular distribution of pores and the polar and azimuthal angles of the average direction of the pore axes relative to the sample axis, with reasonable accuracy. The approach makes it possible to quantitatively determine the parameters of the non-spherical nanoporous structure from NMR data in a non-destructive manner.
我们通过实验和理论研究了含各向异性纳米孔的非晶硅氢化薄膜中多组分氢核磁共振(NMR)回波衰减,其中捕获了随机移动的氢分子。实验结果在先前发展的理论框架内进行解释,该理论将纳米多孔材料表示为一组包含液体或气体的纳米孔,并且考虑到孔内分子的受限运动,弛豫率由偶极 - 偶极自旋相互作用决定。此前,纳米结构的此类特征,如孔的平均体积及其取向分布,是根据自旋 - 自旋和自旋 - 晶格弛豫时间的角度依赖性来确定的。我们提出了一种分析NMR信号的新方法,其主要优点是有可能从回波信号的单次衰减中获得纳米结构参数。在这种情况下,无需分析弛豫时间的各向异性,而在多组分衰减中确定弛豫时间的各向异性是一个相当复杂的问题。尽管存在多组分信号,但与纳米孔大小和形状相关的拟合参数能够相当准确地确定。这使得确定非晶硅氢化薄膜中纳米孔的大小和形状成为可能,而且我们的估计与通过其他方法获得的结果吻合良好。衰减的拟合还能以合理的精度提供有关样品纳米结构的信息,例如孔角度分布的标准偏差以及孔轴平均方向相对于样品轴的极角和方位角。该方法使得以非破坏性方式从NMR数据定量确定非球形纳米多孔结构的参数成为可能。