
Structural comparison of penlandite with hydrogenases. (a) Crystal structure of Ni4.5Fe4.5S8. The nickel and iron sites (brown) share the same positions within the crystal and are bridged by sulfur (yellow). (b) Active site of the [FeNi]-hydrogenase (PDB: 4U9H) as well as (c) [FeFe]-hydrogenase (X=NH, PDB: 1HFE).
Pentlandite consists of iron, nickel, and sulfur. Its structure is similar to the active center of hydrogenases, which are hydrogen-producing enzymes, as found, for example, in green algae. In the current study, the researchers compared the hydrogen production rate of naturally obtained and artificially produced pentlandite with platinum and other non-metallic catalysts.

H2 formation on an exposed H7Ni4Fe4S6(H2O)83+ cluster. (a) The cluster with the bridging hydride, (b) the first order transition state and (c) the cluster with formed H2 (colour scheme: green: nickel; white: hydrogen; red: oxygen; brown: iron; yellow: sulfur).
Artificial pentlandite and platinum prove to be equally good catalysts, with a performance that surpasses that of all the other materials tested. The mineral synthesized in the lab produced hydrogen much more efficiently than the naturally found variant. The reason: Inclusions of magnesium and silicon in natural pentlandite reduce its conductivity. The scientists called the output of artificial pentlandite “surprisingly high,” and the rate of synthesis also remained stable for a long time.
The mineral has another advantage compared to other non-precious-metal materials. It has a greater active surface area to which the reacting substances can dock. In other non-precious-metal materials, this surface has to be created using complex methods by applying the catalyst to an electrode in the form of nanoparticles.
http://aktuell.ruhr-uni-bochum.de/pm2016/pm00108.html.en
http://www.nature.com/ncomms/2016/160727/ncomms12269/full/ncomms12269.html
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