Spin Relaxation and the Structure and Dynamics of Defects in Materials

将对材料缺陷进行理论与实验的联合研究。核磁共振（NMR）研究将在非晶半导体、氢金属系统和高压下的非常小的样品中进行。核磁共振测量将与红外光谱、电子散射、质谱、电导率等研究相关联。一个主要目标是检查氢重排在改变非晶半导体和金属合金性质中的作用。理论工作仍然包括非晶硅、氢化非晶硅和非晶硅掺杂一系列掺杂物的大型超级电池的第一性原理分子动力学模拟。这些实验和理论研究的目的是提供信息，将允许一个微观的理解光伏性能的退化，这伴随着暴露在黑暗退火非晶氢化硅薄膜的光。这些退化目前限制了氢化非晶硅太阳能电池的广泛商业应用。

A joint theoretical and experimental study will be made of defects in materials. Nuclear magnetic resonance (NMR) investigations will be carried out in amorphous semiconductors, hydrogen-metal systems, and in very small samples at high pressures. The NMR measurements will be correlated with studies via infrared spectroscopy, electron scattering, mass spectrometry, electrical conductivity, etc. A principle goal is to examine the role of hydrogen rearrangements in changing the properties of amorphous semiconductors and metallic alloys. The theoretical work still include first principles molecular dynamics simulations of large supercells of amorphous silicon, hydrogenated amorphous silicon, and amorphous silicon with a range of dopants. These experimental and theoretical studies are intended to provide information that will allow a microscopic understanding of degradations of photovoltaic properties which accompany exposure to light of a dark-annealed amorphous hydrogenated silicon film. These degradations currently limit the wide commercial usage of hydrogenated amorphous silicon solar cells.