Chandra Veer Singh
Department of Materials Science and Engineering
University of Toronto
Monday September 29, 2014 – 12:00 to 1:00 PM
Frank Forward Building, Room 217
Abstract: Since extraction of single layer graphene, multiple 2-dimensional materials (2DMs) have been synthesized experimentally. Many more have been theorized. These materials possess intriguing chemical, electronic, thermal and mechanical properties that expand the boundaries of existing structure-property space. In a short time span, significant research knowledge has already been amassed regarding their chemical, and electronic properties. However, their mechanical and thermal behavior have just begun to be explored. In addition to their potential applications into electronic and energy storage devices, the tremendous mechanical properties of 2DMs mean that they can also serve as reinforcing agents for next generation materials for automotive and aerospace industries.
In this talk, we would describe our recent investigations that aim to understand the fundamental mechanical behavior of 2D materials using atomistic simulations and their design for sustainable energy applications. First, we would describe thermally activated failure initiation in graphene with point defects and grain boundaries; and how this analysis brings simulation predictions much closer to experimental data. Then, we would present the first time measurement of the intrinsic strength of monolayer graphene oxide supported by first principles calculations. This work will also serve as an example of how we can combine experimental testing with atomistic modeling techniques to provide a more coherent and in-depth understanding. Finally, design of 2D materials for hydrogen storage and photocatalytic water splitting will be discussed.
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