Computational strategies to address the catalytic activity of nanoclusters

AS Nair, B Pathak - Wiley Interdisciplinary Reviews …, 2021 - Wiley Online Library
Metal nanoclusters have been emerged as imperative elements of heterogenous catalysis.
Remarkably different properties from the bulk at the atomic level asserts construction of …

Specificity of amino acid–aluminum cluster interaction and subsequent oxygen activation by the above complex

B Samanta, T Sengupta, S Pal - The Journal of Physical Chemistry …, 2018 - ACS Publications
Amino acid–aluminum cluster complex has been shown to be a promising oxygen molecule
activator and has the potential to dissociate O–O bond on the cluster surface. The study of …

Multiple-Valence Aluminum and the Electronic and Geometric Structure of AlnOm Clusters

A Armstrong, AC Reber, SN Khanna - The Journal of Physical …, 2019 - ACS Publications
Electronic stability in aluminum clusters is typically associated with either closed electronic
shells of delocalized electrons or a+ 3 oxidation state of aluminum. To investigate whether …

Al Valence Controls the Coordination and Stability of Cationic Aluminum–Oxygen Clusters in Reactions of Aln+ with Oxygen

A Armstrong, H Zhang, AC Reber, Y Jia… - The Journal of …, 2019 - ACS Publications
The reactivity of cationic aluminum clusters with oxygen is studied via a customized time-of-
flight mass spectrometer. Unlike the etching effect for anionic aluminum clusters exposed to …