Either is interesting. I chose volume, because I think it makes a better comparison between vehicles of the same size fitting different fuels in the same tank, assuming hypothetically that the system can run all these fuels (A real car/truck wouldn't). Obviously mass is important, but it seems like the chart I found has most fuels clustered near each other in terms of energy to mass. Hydrogen being a BIG exception.
Looking on Wikipedia (how do you link?), it seems that Aluminum has the greatest energy to volume ratio (Hydrogen has the greatest energy to mass ratio), so with the assumption that some day you could extract that energy as quickly, you get more than twice the power you get from Diesel.
Course, just because that may be true it doesn't mean that it's the highest in theory, just as diamond is not the hardest -possible- material.
I was guessing it was possible to determine this limit based on the bonds, but I'm not much good at math.