| About this Abstract |
| Meeting |
TMS Specialty Congress 2025
|
| Symposium
|
8th World Congress on Integrated Computational Materials Engineering (ICME 2025)
|
| Presentation Title |
ICME-Driven Synthesis of Nanosheets and Applications in Solar Energy Harvesting and CO<SUB2-CH4 Separation in Biogas |
| Author(s) |
Ping Wu, Shunnian Wu, P.V.T. Weerasinghe, H.L. Senevirathna, H.N. Thenuwara, W.P.C. Lee |
| On-Site Speaker (Planned) |
Ping Wu |
| Abstract Scope |
This presentation showcases two studies leveraging Integrated Computational Materials Engineering (ICME) to tackle challenges in material synthesis and renewable energy. The first study utilizes ICME for the entropy-driven synthesis of 2D mica nanosheets from 3D non-Van-Der-Waals crystals. Through first-principles calculations, biaxial straining models, and experiments, we address barriers in exfoliating strongly bonded materials, focusing on their application in solar energy harvesting. The second study presents bio-inspired nanocomposites of magnesium oxide and hydroxide, modeled after the water-harvesting strategies of Namib Desert beetles, to enhance CO₂-CH₄ separation in biogas. Using density functional theory (DFT) and gas-composite interface modeling, the nanocomposites exhibit superior CO₂ adsorption and selective gas capture, with minimal CH₄ adsorption. These studies demonstrate ICME’s potential in optimizing material properties for energy applications by linking processing, microstructure, and performance, offering innovative solutions in solar energy and biogas processing. |
| Proceedings Inclusion? |
Undecided |