High Performance Hydrogen Storage from Be-BTB Metal鈥揙rganic Framework at Room Temperature

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• 作者：Wei-Xian Lim ; Aaron W. Thornton ; Anita J. Hill ; Barry J. Cox ; James M. Hill ; Matthew R. Hill
• 刊名：Langmuir
• 出版年：2013
• 出版时间：July 9, 2013
• 年：2013
• 卷：29
• 期：27
• 页码：8524-8533
• 全文大小：465K
• 年卷期：v.29,no.27(July 9, 2013)
• ISSN：1520-5827

文摘

The metal鈥搊rganic framework beryllium benzene tribenzoate (Be-BTB) has recently been reported to have one of the highest gravimetric hydrogen uptakes at room temperature. Storage at room temperature is one of the key requirements for the practical viability of hydrogen-powered vehicles. Be-BTB has an exceptional 298 K storage capacity of 2.3 wt % hydrogen. This result is surprising given that the low adsorption enthalpy of 5.5 kJ mol^鈥?. In this work, a combination of atomistic simulation and continuum modeling reveals that the beryllium rings contribute strongly to the hydrogen interaction with the framework. These simulations are extended with a thermodynamic energy optimization (TEO) model to compare the performance of Be-BTB to a compressed H₂ tank and benchmark materials MOF-5 and MOF-177 in a MOF-based fuel cell. Our investigation shows that none of the MOF-filled tanks satisfy the United States Department of Energy (DOE) storage targets within the required operating temperatures and pressures. However, the Be-BTB tank delivers the most energy per volume and mass compared to the other material-based storage tanks. The pore size and the framework mass are shown to be contributing factors responsible for the superior room temperature hydrogen adsorption of Be-BTB.