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I think the reason chemicals like Hydrogen and NOS are used because they are much more stable and safe to store than pure O2, which is extremely flammable.
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??? H2 go BOOM
Hydrogen has one of the highest gravimetric energy densities of all available fuels, which means it has very high energy content per unit mass (143 MJ/kg, 40 percent more than other rocket fuels)
Hydrogen is quite difficult to store. It burns with a very high temperature. It requires very little energy to ingnite which is noted by its low octane rating. In single ignition jet/rocket engines this is a plus. In an ICE not so much.
Hydrogen can also corrupt the structure of metals in which it comes into contact - see Hydrogen Embrittlement