Shiv N Khanna
Affiliation: Virginia Commonwealth University
Luo Z, Reber A, Jia M, Blades W, Khanna S, Castleman A. What determines if a ligand activates or passivates a superatom cluster?. Chem Sci. 2016;7:3067-3074 pubmed publisher
..This study enriches the general knowledge on clusters including offering insight into the stability of ligand protected clusters synthesized via wet chemistry. ..
Liu G, Pinkard A, Ciborowski S, Chauhan V, Zhu Z, Aydt A, et al
. Tuning the electronic properties of hexanuclear cobalt sulfide superatoms via ligand substitution. Chem Sci. 2019;10:1760-1766 pubmed publisher
..Our work provides unique insights into the electronic structure and tunability of superatomic building blocks. ..
Sutradhar P, Chauhan V, Khanna S, Atulasimha J. Magnetic behavior of superatomic-fullerene assemblies. Phys Chem Chem Phys. 2017;19:996-1002 pubmed publisher
..It is shown that the inclusion of Dzyaloshinskii-Moriya interaction that cause spin canting is necessary to get qualitative response as observed in experiments. ..
Yang Y, Castano C, Gupton B, Reber A, Khanna S. A fundamental analysis of enhanced cross-coupling catalytic activity for palladium clusters on graphene supports. Nanoscale. 2016;8:19564-19572 pubmed
..Furthermore, multiple experimental methods were used to unambiguously demonstrate that these cross-coupling reactions are occurring at the Pd/G catalyst surface. ..
Chauhan V, Abreu M, Reber A, Khanna S. Geometry controls the stability of FeSi14. Phys Chem Chem Phys. 2015;17:15718-24 pubmed publisher
..FeSi14 is shown to be the most stable due to a compact and highly symmetric Si14 cage with octahedral symmetry that allows better mixing between Fe 3d- and Si 3p-electronic states. ..
Chauhan V, Reber A, Khanna S. Strong lowering of ionization energy of metallic clusters by organic ligands without changing shell filling. Nat Commun. 2018;9:2357 pubmed publisher
Chauhan V, Reber A, Khanna S. CO ligands stabilize metal chalcogenide Co6Se8(CO)n clusters via demagnetization. Phys Chem Chem Phys. 2017;19:31940-31948 pubmed publisher
..As these clusters generally maintain their octahedral core, the high spin state prevails and the removal of the ligands results in an increase in spin multiplicity. ..