用于高储氢容量的新型同网金属有机骨架材料。

New isoreticular metal-organic framework materials for high hydrogen storage capacity.

作者信息

Sagara Tatsuhiko, Ortony Julia, Ganz Eric

机构信息

Department of Physics, University of Minnesota, Minneapolis, Minnesota 55455, USA.

出版信息

J Chem Phys. 2005 Dec 1;123(21):214707. doi: 10.1063/1.2133734.

DOI:10.1063/1.2133734

PMID:16356061

Abstract

We propose new isoreticular metal-organic framework (IRMOF) materials to increase the hydrogen storage capacity at room temperature. Based on the potential-energy surface of hydrogen molecules on IRMOF linkers and the interaction energy between hydrogen molecules, we estimate the saturation value of hydrogen sorption capacity at room temperature. We discuss design criteria and propose new IRMOF materials that have high gravimetric and volumetric hydrogen storage densities. These new IRMOF materials may have gravimetric storage density up to 6.5 wt % and volumetric storage density up to 40 kg H2/m3 at room temperature.

摘要

我们提出新型同网状金属有机框架（IRMOF）材料，以提高室温下的储氢容量。基于氢分子在IRMOF连接体上的势能面以及氢分子之间的相互作用能，我们估算了室温下氢吸附容量的饱和值。我们讨论了设计标准，并提出了具有高重量和体积储氢密度的新型IRMOF材料。这些新型IRMOF材料在室温下可能具有高达6.5 wt%的重量储氢密度和高达40 kg H2/m3的体积储氢密度。