I want to understand how are catalysts discovered for a particular chemical reactions say for example $\ce{Fe,~Mo}$ for Haber's Process reaction of $\ce{N2}$ & $\ce{H2}$.

Reactions as examples with some background (story of discovery,discoverer or method) would better serve the purpose.

For this question keep it limited to Catalysts involved in Haber's Process.

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    $\begingroup$ Specifically for Haber process finding of iron catalyst was a result of wide screening of many metals in attempt to find cheaper alternative for well-known at time ruthenium catalyst. $\endgroup$
    – permeakra
    Dec 21 '14 at 13:22