About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Advances in Powder and Ceramic Materials Science
|
Presentation Title |
Compositionally Complex Perovskite for Solar Thermochemical Water Splitting |
Author(s) |
Dawei Zhang, Héctor A.De Santiago, Boyuan Xu, Cijie Liu, Trindell Jamie, Wei Li, Jiyun Park, Josh Sugar, Anthony McDaniel, Stephen Lany, wenyuan Li, Hanchen Tian, Yue Qi, Xingbo Liu, Jian Luo |
On-Site Speaker (Planned) |
Dawei Zhang |
Abstract Scope |
Solar thermochemical hydrogen generation (STCH) is emerging as a promising approach for eco-friendly production of solar fuels. However, STCH materials often suffer from thermodynamic and kinetics limitations and there is a limited compositional space to search and engineer existing STCH materials. Here, we introduce a new (medium- to high-entropy) compositionally complex design for STCH materials exemplified by {La,Sr}{Mn,Fe,Co,Al}O3. Co is the most redox active element. A parallel Monte Carlo and density functional theory calculation further elucidates that the favorable Co redox originates from local excess space due to Co bond stretching that outpaces the tendency to generate vacancies near Mn4+. The optimal STCH performance in is achieved due to a tradeoff of thermodynamic and kinetic properties, which outperforms the simpler benchmark (La,Sr)CoO3-δ. In a broader perspective, the vast compositional space in compositionally complex ceramics (CCCs) offers new possibilities to design and tailor STCH materials. |
Proceedings Inclusion? |
Planned: |
Keywords |
Ceramics, Energy Conversion and Storage, Characterization |