METAL SUPPORT INTERACTIONS IN HYDROGEN STORAGE MATERIALS: A SHORT REVIEW
Abstract
Metal-support interactions (MSIs) are vital to a number of industrial, biological, catalytic and chemical processes. An optimal strength of MSIs is often desired to maintain the efficiency and activity of such processes.
Recently, it has been demonstrated that metal decoration and boron substitution of organic part (linkers) of Metal-Organic Frameworks (MOFs) is a promising approach to enhance MSIs (interaction energies) of metals with host MOFs. Additionally, it was also found that metal decoration and boron substitution in organic linkers also enhances H2 binding energies (Ebinding) of MOFs. A fundamental understanding of the role of metal decoration and boron substitution towards tuning MSIs with an organic linker of MOFs is essential for designing new materials with improved stability and activity that can potentially serve as hydrogen storage materials. In this minireview, a few recent works have been highlighted that employed Density Functional Theory (DFT) to demonstrate a metal decoration and boron doping strategy for tuning MSI MOFs.