Publications by authors named "Shi-Hu Du"
J Phys Chem Lett
July 2024
Article Synopsis
- Traditional methods for designing superhalogens involve modifying clusters to control electron count, which can be complex and difficult to manage in experiments.
- This study introduces the concept of using oriented external electric fields (OEEF) to increase the electron affinity of aluminum-based metal clusters without changing their internal structure.
- The findings present a new, less invasive way to create superhalogens and superalkalis, expanding possibilities for practical applications of functional clusters.
Article Synopsis
- The TaO cluster, a non-noble metal, shows potential as an alternative to noble metals like gold, enabling the development of customized materials through the superatom concept.
- Density functional theory calculations reveal that TaO clusters have the highest electron affinity at 2.14 eV, with enhancements through the integration of CO ligands and oriented external electric fields (OEEF).
- By applying OEEF, researchers increased the electron affinity of CO-ligated TaO clusters significantly, highlighting a new strategy for creating superhalogens, which can potentially revolutionize material engineering.
