Webof making new materials using clusters as the building blocks is discussed. An ionic solid made out of Al13 (or BAl12) and Cs is shown to be metastable and marked by a large gap at the Fermi energy even though bulk Al and Cs are metals. KEY WORDS: Aluminum clusters; superatoms; theoretical calculations. INTRODUCTION WebMar 18, 1994 · The activation may proceed either thermally or via photochemical electron transfer reactions. Quantum chemistry always provides valuable insights for designing …
Designing New Materials Using Atomic Clusters - Springer
WebJan 25, 2012 · Designing ionic solids from metallic clusters. Article. Mar 1994; CHEM PHYS LETT; S. N. Khanna; Puru Jena; using self-consistent quantum mechanical calculations it is shown that numerous metal ... WebSep 1, 2001 · Designing ionic solids from metallic clusters. Article. Mar 1994; CHEM PHYS LETT; S. N. Khanna; Puru Jena; using self-consistent quantum mechanical calculations it is shown that numerous metal ... flynn robin hood
Mimicking the magnetic properties of rare earth elements using ...
WebAn ionic solid made out of Al13 (or BAl12) and Cs is shown to be metastable and marked by a large gap at the Fermi energy even though bulk Al and Cs are metals. Designing principles for forming stable metallic clusters whose chemistry mimics different atoms of the periodic table are discussed. Webfree-atom (in covalent solids) or free-ion (in ionic and metallic solids) potentials. This approximation fails completely when the crystalline environment strongly changes the free-atom character of the potential at a given atomic site. These effects may occur in several systems, such as (0 solids where strong ionic-covalent bonding occurs WebConsidering the well-known magnetic characteristics of the REs, we suggest a strategy of designing clusters that have similar valence electrons and magnetic moments to the corresponding REs, which may lead similar properties used as magnetic materials. ... SN Khanna, P Jena, Designing ionic solids from metallic clusters. Chem Phys Lett 219, … flynn roofing canada