Computational

Hydrogen powered fuel cell cars, developed by almost every major car manufacturer, are ideal zero-emissions vehicles because they produce only water as exhaust. However, their reliability is limited because the fuel cell relies upon a membrane that only functions in when enough water is present, limiting the vehicle’s operating conditions. 

Karl Johnson and his group have found that the unusual properties of graphane – a two-dimensional polymer of carbon and hydrogen – could form a type of anhydrous “bucket brigade” that transports protons without the need for water, potentially leading to the development of more efficient hydrogen fuel cells for vehicles and other energy systems. Graduate research assistant Abhishek Bagusetty is the lead author on their paper “Facile Anhydrous Proton Transport on Hydroxyl Functionalized Graphane”, recently published in Physical Review Letters. Computational modeling techniques coupled with the high performance computational infrastructure at the University’s Center for Research Computing enabled them to design this potentially groundbreaking material. 

Venkat Viswanathan was featured in MIT News for his research in battery technologies. In collaboration with researchers from MIT, Viswanathan is studying a new kind of electrolyte for "self-healing" lithium battery cells, which could lead to longer driving range, lower cost electric vehicle batteries. 

The Behrend Computational Materials Meeting 2016 will be held Saturday, November 19 from 10 am to 4 pm at Penn State Behrend (Erie, PA). The focus of the meeting will be on Atomic Level Methods and Applications

There is no participation fee, and lunch will be provided. To officially register, please fill out the form below. Registration deadline is Wednesday Nov. 9, 2016. (Early registrations preferred).

Questions or concerns?  Please e-mail Blair Tuttle at brt10@psu.edu

Energy expert Venkat Viswanathan have received funding from the U.S. Department of Energy’s Advanced Research Projects Agency – Energy (ARPA-E) to study the use of dendrite-blocking polymers in lithium-ion batteries. 

When charged repeatedly, lithium-ion batteries run the risk of overheating, and even catching fire. This is due to the formation of dendrites, or microscopic fibers of lithium that can form during the charging cycle. Over time, these dendrites can grow long enough that they connect the battery’s electrodes to one another, causing the battery to short-circuit and become a potential hazard. In order to fully implement future lithium-ion battery technologies, which could greatly increase the battery power of our smartphones, electric vehicles, and more, engineers need to find a way to stop these dendrites from forming.