Nanotechnology Now

Our NanoNews Digest Sponsors
Heifer International



Home > Press > Hybrid nanostructures hold hydrogen well: Rice University scientists say boron nitride-graphene hybrid may be right for next-gen green cars

Simulations by Rice University scientists show that pillared graphene boron nitride may be a suitable storage medium for hydrogen-powered vehicles. Above, the pink (boron) and blue (nitrogen) pillars serve as spacers for carbon graphene sheets (gray). The researchers showed the material worked best when doped with oxygen atoms (red), which enhanced its ability to adsorb and desorb hydrogen (white).
CREDIT
Lei Tao/Rice University
Simulations by Rice University scientists show that pillared graphene boron nitride may be a suitable storage medium for hydrogen-powered vehicles. Above, the pink (boron) and blue (nitrogen) pillars serve as spacers for carbon graphene sheets (gray). The researchers showed the material worked best when doped with oxygen atoms (red), which enhanced its ability to adsorb and desorb hydrogen (white). CREDIT Lei Tao/Rice University

Abstract:
Layers of graphene separated by nanotube pillars of boron nitride may be a suitable material to store hydrogen fuel in cars, according to Rice University scientists.

Hybrid nanostructures hold hydrogen well: Rice University scientists say boron nitride-graphene hybrid may be right for next-gen green cars

Houston, TX | Posted on October 25th, 2016

The Department of Energy has set benchmarks for storage materials that would make hydrogen a practical fuel for light-duty vehicles. The Rice lab of materials scientist Rouzbeh Shahsavari determined in a new computational study that pillared boron nitride and graphene could be a candidate.

The study by Shahsavari and Farzaneh Shayeganfar appears in the American Chemical Society journal Langmuir.

Shahsavari's lab had already determined through computer models how tough and resilient pillared graphene structures would be, and later worked boron nitride nanotubes into the mix to model a unique three-dimensional architecture. (Samples of boron nitride nanotubes seamlessly bonded to graphene have been made.)

Just as pillars in a building make space between floors for people, pillars in boron nitride graphene make space for hydrogen atoms. The challenge is to make them enter and stay in sufficient numbers and exit upon demand.

In their latest molecular dynamics simulations, the researchers found that either pillared graphene or pillared boron nitride graphene would offer abundant surface area (about 2,547 square meters per gram) with good recyclable properties under ambient conditions. Their models showed adding oxygen or lithium to the materials would make them even better at binding hydrogen.

They focused the simulations on four variants: pillared structures of boron nitride or pillared boron nitride graphene doped with either oxygen or lithium. At room temperature and in ambient pressure, oxygen-doped boron nitride graphene proved the best, holding 11.6 percent of its weight in hydrogen (its gravimetric capacity) and about 60 grams per liter (its volumetric capacity); it easily beat competing technologies like porous boron nitride, metal oxide frameworks and carbon nanotubes.

At a chilly -321 degrees Fahrenheit, the material held 14.77 percent of its weight in hydrogen.

The Department of Energy's current target for economic storage media is the ability to store more than 5.5 percent of its weight and 40 grams per liter in hydrogen under moderate conditions. The ultimate targets are 7.5 weight percent and 70 grams per liter.

Shahsavari said hydrogen atoms adsorbed to the undoped pillared boron nitride graphene, thanks to weak van der Waals forces. When the material was doped with oxygen, the atoms bonded strongly with the hybrid and created a better surface for incoming hydrogen, which Shahsavari said would likely be delivered under pressure and would exit when pressure is released.

"Adding oxygen to the substrate gives us good bonding because of the nature of the charges and their interactions," he said. "Oxygen and hydrogen are known to have good chemical affinity."

He said the polarized nature of the boron nitride where it bonds with the graphene and the electron mobility of the graphene itself make the material highly tunable for applications.

"What we're looking for is the sweet spot," Shahsavari said, describing the ideal conditions as a balance between the material's surface area and weight, as well as the operating temperatures and pressures. "This is only practical through computational modeling, because we can test a lot of variations very quickly. It would take experimentalists months to do what takes us only days."

He said the structures should be robust enough to easily surpass the Department of Energy requirement that a hydrogen fuel tank be able to withstand 1,500 charge-discharge cycles.

###

Shayeganfar, a former visiting scholar at Rice, is an instructor at Shahid Rajaee Teacher Training University in Tehran, Iran. The researchers used the BlueBioU supercomputer and the National Science Foundation-supported DAVinCI supercomputer, which are both administered by Rice's Center for Research Computing and were procured in partnership with Rice's Ken Kennedy Institute for Information Technology.

####

About Rice University
Located on a 300-acre forested campus in Houston, Rice University is consistently ranked among the nation's top 20 universities by U.S. News & World Report. Rice has highly respected schools of Architecture, Business, Continuing Studies, Engineering, Humanities, Music, Natural Sciences and Social Sciences and is home to the Baker Institute for Public Policy. With 3,910 undergraduates and 2,809 graduate students, Rice's undergraduate student-to-faculty ratio is 6-to-1. Its residential college system builds close-knit communities and lifelong friendships, just one reason why Rice is ranked No. 1 for happiest students and for lots of race/class interaction by the Princeton Review. Rice is also rated as a best value among private universities by Kiplinger's Personal Finance. To read "What they're saying about Rice," go to tinyurl.com/RiceUniversityoverview.

Follow Rice News and Media Relations via Twitter @RiceUNews.

For more information, please click here

Contacts:
David Ruth
713-348-6327


Mike Williams
713-348-6728

Copyright © Rice University

If you have a comment, please Contact us.

Issuers of news releases, not 7th Wave, Inc. or Nanotechnology Now, are solely responsible for the accuracy of the content.

Bookmark:
Delicious Digg Newsvine Google Yahoo Reddit Magnoliacom Furl Facebook

Related Links

Read the abstract at:

Multiscale Materials Laboratory home page:

George R. Brown School of Engineering:

Related News Press

News and information

New class of protein misfolding simulated in high definition: Evidence for recently identified and long-lasting type of protein misfolding bolstered by atomic-scale simulations and new experiments August 8th, 2025

Sensors innovations for smart lithium-based batteries: advancements, opportunities, and potential challenges August 8th, 2025

Deciphering local microstrain-induced optimization of asymmetric Fe single atomic sites for efficient oxygen reduction August 8th, 2025

Lab to industry: InSe wafer-scale breakthrough for future electronics August 8th, 2025

Graphene/ Graphite

Electrifying results shed light on graphene foam as a potential material for lab grown cartilage June 6th, 2025

UCF researcher discovers new technique for infrared “color” detection and imaging: The new specialized tunable detection and imaging technique for infrared photons surpasses present technology and may be a cost-effective method of capturing thermal imaging or night vision, medica December 13th, 2024

Breakthrough in proton barrier films using pore-free graphene oxide: Kumamoto University researchers achieve new milestone in advanced coating technologies September 13th, 2024

A 2D device for quantum cooling:EPFL engineers have created a device that can efficiently convert heat into electrical voltage at temperatures lower than that of outer space. The innovation could help overcome a significant obstacle to the advancement of quantum computing technol July 5th, 2024

Govt.-Legislation/Regulation/Funding/Policy

New imaging approach transforms study of bacterial biofilms August 8th, 2025

INRS and ELI deepen strategic partnership to train the next generation in laser science:PhD students will benefit from international mobility and privileged access to cutting-edge infrastructure June 6th, 2025

Electrifying results shed light on graphene foam as a potential material for lab grown cartilage June 6th, 2025

Institute for Nanoscience hosts annual proposal planning meeting May 16th, 2025

Possible Futures

ICFO researchers overcome long-standing bottleneck in single photon detection with twisted 2D materials August 8th, 2025

New molecular technology targets tumors and simultaneously silences two ‘undruggable’ cancer genes August 8th, 2025

Simple algorithm paired with standard imaging tool could predict failure in lithium metal batteries August 8th, 2025

First real-time observation of two-dimensional melting process: Researchers at Mainz University unveil new insights into magnetic vortex structures August 8th, 2025

Nanotubes/Buckyballs/Fullerenes/Nanorods/Nanostrings

Enhancing power factor of p- and n-type single-walled carbon nanotubes April 25th, 2025

Chainmail-like material could be the future of armor: First 2D mechanically interlocked polymer exhibits exceptional flexibility and strength January 17th, 2025

Innovative biomimetic superhydrophobic coating combines repair and buffering properties for superior anti-erosion December 13th, 2024

Catalytic combo converts CO2 to solid carbon nanofibers: Tandem electrocatalytic-thermocatalytic conversion could help offset emissions of potent greenhouse gas by locking carbon away in a useful material January 12th, 2024

Discoveries

Deciphering local microstrain-induced optimization of asymmetric Fe single atomic sites for efficient oxygen reduction August 8th, 2025

ICFO researchers overcome long-standing bottleneck in single photon detection with twisted 2D materials August 8th, 2025

New molecular technology targets tumors and simultaneously silences two ‘undruggable’ cancer genes August 8th, 2025

Simple algorithm paired with standard imaging tool could predict failure in lithium metal batteries August 8th, 2025

Announcements

Sensors innovations for smart lithium-based batteries: advancements, opportunities, and potential challenges August 8th, 2025

Deciphering local microstrain-induced optimization of asymmetric Fe single atomic sites for efficient oxygen reduction August 8th, 2025

Japan launches fully domestically produced quantum computer: Expo visitors to experience quantum computing firsthand August 8th, 2025

ICFO researchers overcome long-standing bottleneck in single photon detection with twisted 2D materials August 8th, 2025

Interviews/Book Reviews/Essays/Reports/Podcasts/Journals/White papers/Posters

New molecular technology targets tumors and simultaneously silences two ‘undruggable’ cancer genes August 8th, 2025

Simple algorithm paired with standard imaging tool could predict failure in lithium metal batteries August 8th, 2025

First real-time observation of two-dimensional melting process: Researchers at Mainz University unveil new insights into magnetic vortex structures August 8th, 2025

Lab to industry: InSe wafer-scale breakthrough for future electronics August 8th, 2025

Automotive/Transportation

Sensors innovations for smart lithium-based batteries: advancements, opportunities, and potential challenges August 8th, 2025

Simple algorithm paired with standard imaging tool could predict failure in lithium metal batteries August 8th, 2025

Portable Raman analyzer detects hydrogen leaks from a distance: Device senses tiny concentration changes of hydrogen in ambient air, offering a dependable way to detect and locate leaks in pipelines and industrial systems April 25th, 2025

Leading the charge to better batteries February 28th, 2025

Research partnerships

Lab to industry: InSe wafer-scale breakthrough for future electronics August 8th, 2025

INRS and ELI deepen strategic partnership to train the next generation in laser science:PhD students will benefit from international mobility and privileged access to cutting-edge infrastructure June 6th, 2025

Superconductors: Amazingly orderly disorder: A surprising effect was discovered through a collaborative effort by researchers from TU Wien and institutions in Croatia, France, Poland, Singapore, Switzerland, and the US during the investigation of a special material: the atoms are May 14th, 2025

HKU physicists uncover hidden order in the quantum world through deconfined quantum critical points April 25th, 2025

NanoNews-Digest
The latest news from around the world, FREE




  Premium Products
NanoNews-Custom
Only the news you want to read!
 Learn More
NanoStrategies
Full-service, expert consulting
 Learn More











ASP
Nanotechnology Now Featured Books




NNN

The Hunger Project