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Scientific community has long been fascinated by boron nitride due to its unique properties: sturdy, ultra-thin transparent, insulating and lightweight. The boron is a material that can be used by a wide range of researchers.
According to researchers at Rice University a graphene film separated by boron nanotube columns could be used as a material for storing fuel hydrogen in automobiles.

The Department of Energy is setting the benchmark in storage materials to make hydrogen fuel a practical option for light vehicles. A new computational study by materials scientist Rouzbeh Sharsavari of Rice Lab has determined that pillared Boron Nitride and Graphene may be suitable candidates.

Shahsavari’s laboratory determined the elastic and columnar graphene structures by computer simulation, and then processed the boron nanotubes to create a mixture that simulated a unique 3-dimensional structure. (A sample consisting of boron nanotubes that are seamlessly bonded with graphene is prepared.

As the pillars of the building provide space between floors for people, so do the pillars within the graphene made from boron-nitride. The goal is to keep them inside and then exit when needed.

The researchers discovered that the latest simulations of molecular dynamics showed that pillared carbon nitride and graphene have a high surface area (approximately 2,547 sq. m. per sq. m.) as well as good recyclability in ambient conditions. Their model shows adding oxygen or lithium will improve the material's ability to combine with hydrogen.

They concentrated their simulations on four different variants: either a graphene pillared with boron or lithium, or a graphene pillared with boron or lithium.

The best graphene at room temperature was oxygen-doped boron oxide graphene. This graphene weighs 11.6% (by weight) and has a volume of 60 g/L.

In a cold temperature of -321 Fahrenheit, 14.77% of the material's hydrogen weight was present.

Under moderate conditions, US Department of Energy has set a target of storing more than 5.5% of hydrogen by weight and 40 g per liter. The ultimate target is 7.5% weight and 70 gram per liter.

Shahsavari explained that the hydrogen atoms adsorb on boron-nitride graphene without oxygen doping due to the weak van der Waals forces. When the material has been doped with oxygen the atoms bind strongly to the mixture. This produces a surface that is better for hydrogen.

"Due to the nature of charge and interaction, adding oxygen to the substratum gives us a strong bond," said he. "Oxygen, and hydrogen have been known to share a strong chemical affinity."

Shahsavari explained that the boron nitride polarization combined with the graphene electron mobility makes this material highly adaptable in its applications.

Shahsavari explains that "we are looking for the best point" which describes ideal conditions such as the balance between weight and surface area of the material as well as the operating temperature and pressure. "This is only possible through computational modeling as we can test a lot of changes very quickly. In just a couple of days, the experimenter is able to finish the work that would normally take months.

He said these structures are strong enough to easily surpass the requirements of Department of Energy. The hydrogen fuel tank, for example, can withstand up to 1,500 charging and discharge cycles.

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