Nanotubular Materials and Novel Phenomena Associated with Adsorbed Molecules

技术摘要先前的研究表明，碳纳米管中水的结构与块状水有很大的不同，并且强烈依赖于管径。最近的研究表明，水在碳纳米管中的焓和熵也可以显著地依赖于温度，从而导致水的吸附性能与温度有关。在这个项目中，碳纳米管中的水的吸附和动力学将通过核磁共振进行检测。具体来说，将研究温度和碳纳米管直径对水的吸附和动力学的依赖关系。基础知识和实验方法也将扩展到一些模型蛋白质的水化研究。水在表面疏水的纳米结构中的吸附是一种重要的现象，涉及到纳米流体、蛋白质水化和蛋白质折叠等一系列重要问题。第二种待研究的纳米管是二氧化钛纳米管。这种材料独特的结构导致了具有良好光电化学性能的新型无机/有机结构。本项目将合成各种二氧化钛纳米管/染料杂化结构，系统地表征这种无机/有机结构和界面的结构和成键，并检测其光学和电子转移性能。这项研究可能会对太阳能燃料的研发产生重大影响。高中生将参与基于纳米材料的太阳能燃料研究，相关主题将被纳入课堂教学。非技术摘要表面疏水的纳米结构中的水吸附是一种重要现象，与纳米流体、蛋白质水合和蛋白质折叠等广泛的重要问题有关。碳纳米管内的水为阐明疏水表面吸附纳米受限水的机理和动力学提供了一个理想的模型系统。利用核磁共振，本项目将系统地研究碳纳米管直径和温度对水的吸附和动力学的影响。这一基本知识和方法将扩展到蛋白质水合作用的研究。这项研究可以提供对重要现象的基本理解，从工程设备的功能，如纳米流体到生物系统，如酶活性。理解二氧化钛纳米管/有机分子杂化材料的原子结构和界面对于开发高效的太阳能燃料探测系统至关重要。在这个项目中，将开发新的基于二氧化钛纳米管的混合结构，将检查基本的光学和电子工艺，并将评估其在太阳能燃料生产中的潜力。这个项目也将有高中生的积极参与。通过课程开发、教学和暑期研究，许多高中生将接受培训，利用他们在材料科学、物理和化学方面的综合知识开发可再生能源。

TECHNICAL ABSTRACT Previous studies have shown that the structures of water inside carbon nanotubes are very different from bulk water and depend strongly on tube diameters. Recently, it was demonstrated that the enthalpy and entropy of water inside carbon nanotubes can also depend significantly on temperature leading to temperature-dependent water adsorption properties. In this project, water adsorption and dynamics in carbon nanotubes will be examined by nuclear magnetic resonance. Specifically, temperature and carbon nanotube diameter dependence of water adsorption and dynamics will be investigated. The basic knowledge and experimental approaches will also be extended to the hydration study of some model proteins. Water adsorption in seemingly hydrophobic nanostructures is an important phenomenon related to a broad range of important issues such as nanofluidics, protein hydration, and protein folding. The second type of nanotubes to be studied is titania nanotubes. The unique structure of this material leads to novel inorganic/organic structures with promising photoelectrochemical properties. This project will synthesize a variety of titania nanotubes/dye hybrid structures, characterize systematically the structures and bonding of such inorganic/organic structures and interfaces, and examine the optical and electron transfer properties. This research could have a major impact on solar fuel research and development. High school students will be involved in this nanomaterials-based solar fuel research and related topics will be incorporated in classroom teaching.NON-TECHNICAL ABSTRACT Water adsorption in seemingly hydrophobic nanostructures is an important phenomenon related to a broad range of important issues such as nanofluidics, protein hydration, and protein folding. Water inside carbon nanotubes provides an ideal model system for elucidating the mechanism of adsorption and dynamics of nanoconfined water by hydrophobic surfaces. Using nuclear magnetic resonance, this project will investigate systematically the effects of the carbon nanotube diameter and temperature on water adsorption and dynamics. This basic knowledge and approach will be extended to the study of protein hydration. This study could provide fundamental understanding of important phenomena from the function of engineering devices such as nanofluidics to biological systems such as enzyme activity. The understanding of the atomic structures and interfaces of titania nanotubes/organic molecule hybrids is of crucial importance for developing efficient systems for solar fuel exploration. In this project, new titania nanotube-based hybrid structures will be developed, basic optical and electronic processes will be examined, and their potentials for solar fuel production will be evaluated. This project will also have active involvement of high school students. Through course development, teaching, and summer research many high school students will be trained in using their comprehensive knowledge on materials sciences, physics, and chemistry for the development of renewable energy.