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Final Report: Characterization of Hydrogen Adsorption in Carbon-Based Materials by NMR

Description: In support of DOE/EERE's Fuel Cell Technologies Program Hydrogen Sorption Center of Excellence (HSCoE), UNC conducted Nuclear Magnetic Resonance (NMR) measurements that contributed spectroscopic information as well as quantitative analysis of adsorption processes. While NMR based Langmuir isotherms produce reliable H2 capacity measurements, the most astute contribution to the center is provided by information on dihydrogen adsorption on the scale of nanometers, including the molecular dynamics of hydrogen in micropores, and the diffusion of dihydrogen between macro and micro pores. A new method to assess the pore width using H2 as probe of the pore geometry was developed and is based on the variation of the observed chemical shift of adsorbed dihydrogen as function of H2 pressure. Adsorbents designed and synthesized by the Center were assessed for their H2 capacity, the binding energy of the adsorption site, their pore structure and their ability to release H2. Feedback to the materials groups was provided to improve the materials’ properties. To enable in situ NMR measurements as a function of H2 pressure and temperature, a unique, specialized NMR system was designed and built. Pressure can be varied between 10-4 and 107 Pa while the temperature can be controlled between 77K and room temperature. In addition to the 1H investigation of the H2 adsorption process, NMR was implemented to measure the atomic content of substituted elements, e.g. boron in boron substituted graphitic material as well as to determine the local environment and symmetry of these substituted nuclei. The primary findings by UNC are the following: • Boron substituted for carbon in graphitic material in the planar BC3 configuration enhances the binding energy for adsorbed hydrogen. • Arrested kinetics of H2 was observed below 130K in the same boron substituted carbon samples that combine enhanced binding energy with micropore structure. • Hydrogen storage material ...
Date: July 11, 2011
Creator: Wu, Yue & Kleinhammes, Alfred
Partner: UNT Libraries Government Documents Department

Synthesis and photovoltaic application of coper (I) sulfide nanocrystals

Description: We present the rational synthesis of colloidal copper(I) sulfide nanocrystals and demonstrate their application as an active light absorbing component in combination with CdS nanorods to make a solution-processed solar cell with 1.6percent power conversion efficiency on both conventional glass substrates and flexible plastic substrates with stability over a 4 month testing period.
Date: June 24, 2008
Creator: Wu, Yue; Wadia, Cyrus; Ma, Wanli; Sadtler, Bryce & Alivisatos, A.Paul
Partner: UNT Libraries Government Documents Department

Photovoltaic Devices Employing Ternary PbSxSe1-x Nanocrystals

Description: We report solar cells based on highly confined nanocrystals of the ternary compound PbSxSe1-x. Crystalline, monodisperse alloyed nanocrystals are obtained using a one-pot, hot injection reaction. Rutherford back scattering and energy filtered transmission electron microscopy suggest that the S and Se anions are uniformly distributed in the alloy nanoparticles. Photovoltaic devices made using ternary nanoparticles are more efficient than either pure PbS or pure PbSe based nanocrystal devices.
Date: February 5, 2009
Creator: Ma, Wanli; Luther, Joseph; Zheng, Haimei; Wu, Yue & Alivisatos, A. Paul
Partner: UNT Libraries Government Documents Department

Surfactant-Assisted Hydrothermal Synthesis of Single Phase Pyrite FeS2 Nanocrystals

Description: Iron pyrite nanocrystals with high purity have been synthesized through a surfactant-assisted hydrothermal reaction under optimum pH value. These pyrite nanocrystals represent a new group of well-defined nanoscale structures for high-performance photovoltaic solar cells based on non-toxic and earth abundant materials.
Date: March 27, 2009
Creator: Wadia, Cyrus; Wu, Yue; Gul, Sheraz; Volkman, Steven; Guo, Jinghua & Alivisatos, Paul
Partner: UNT Libraries Government Documents Department