Carbon-based Nanomaterials
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Our interest lies in modeling a variety of carbon-based nanostructures including assemblies made of carbon nano-tubes (CNT) or graphenes. These nanomaterials can be embedded with certain types of carbon-based fillers or be a part of hybrid structures so that their synthesis processes and/or functionalities (electronic, optical, magnetic and thermal) properties can be optimized. We employ classical and ab-initio molecular dynamics simulations to quantitatively assess these properties. Subsequently, we evaluate the critical factors that govern their properties particularly at elevated temperatures and link them to experimental results obtained by our collaborators. In addition, we are also interested in assessing the aging effect or the degradation mode taken place over time in these complex structures upon an extended exposure to aggressive (oxidative) environment.
We have also been working on developing Augmented Reality (AR) and Virtual Reality (VR) apps as educational tools to elucidate the structures and bonding mechanisms within carbon nanomaterials.
Examples of our publications with our collaborators (Prof Shenqiang Ren at SUNY-Buffalo and Prof. Judy Wu from KU) that are relevant to the research area of carbon-based nanomaterials:
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Extraordinary Sensitivity of Surface-Enhanced Raman Spectroscopy of Molecules on MoS2 (WS2) Nanodomes/Graphene van der Waals Heterostructure Substrates Samar Ghopry, Mohammed Alamri, Ryan Goul, Ridwan Sakidja and Judy Wu, Advanced Optical Materials, accepted for publication (2019)
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Maogang Gong, Ridwan Sakidja, Qingfeng Liu, Ryan Goul, Dan Ewing, Matthew Casper, Alex Stramel, Alan Elliot and Judy Z. Wu, Advanced Optical Materials, Vol. 6[8], p.1701241,(2018)
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Charge-transfer magnets: Multiferroicity of carbon-based charge-transfer magnets
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