Search Results - "Khanna, Shiv N"

Superatoms: Electronic and Geometric Effects on Reactivity by Reber, Arthur C, Khanna, Shiv N

“…The relative role of electronic and geometric effects on the stability of clusters has been a contentious topic for quite some time, with the focus on…”
Get full text

A Systematic Framework and Nanoperiodic Concept for Unifying Nanoscience: Hard/Soft Nanoelements, Superatoms, Meta-Atoms, New Emerging Properties, Periodic Property Patterns, and Predictive Mendeleev-like Nanoperiodic Tables by Tomalia, Donald A, Khanna, Shiv N

“…Development of a central paradigm is undoubtedly the single most influential force responsible for advancing Dalton’s 19th century atomic/molecular chemistry…”
Get full text

Strong Effect of Organic Ligands on the Electronic Structure of Metal-Chalcogenide Clusters by Chauhan, Vikas, Khanna, Shiv N

“…It is shown that multiple ionization energies of metal-chalcogenide clusters can be substantially reduced by adding ligands that form charge transfer…”
Get full text

Strong lowering of ionization energy of metallic clusters by organic ligands without changing shell filling by Chauhan, Vikas, Reber, Arthur C., Khanna, Shiv N.

“…Alkali atoms have unusually low ionization energies because their electronic structures have an excess electron beyond that of a filled electronic shell…”
Get full text

More than just a support: Graphene as a solid-state ligand for palladium-catalyzed cross-coupling reactions by Yang, Yuan, Reber, Arthur C., Gilliland, Stanley E., Castano, Carlos E., Gupton, B. Frank, Khanna, Shiv N.

“…[Display omitted] •Pd clusters on reduced graphene show large turnover frequency for Suzuki reaction.•Graphene Support acts as charge donor/acceptor to lower…”
Get full text

Preparation of Elemental Cu and Ni Nanoparticles by the Polyol Method: An Experimental and Theoretical Approach by Carroll, Kyler J, Reveles, J. Ulises, Shultz, Michael D, Khanna, Shiv N, Carpenter, Everett E

“…This paper discusses the relationship between synthesis conditions, crystal morphology, and theoretical modeling of copper and nickel nanoparticles prepared by…”
Get full text

Converting CO2 to formic acid by tuning quantum states in metal chalcogenide clusters by Sengupta, Turbasu, Khanna, Shiv N.

“…The catalytic conversion of CO 2 into valuable chemicals is an effective strategy for reducing its adverse impact on the environment. In this work, the…”
Get full text

Controlling the Band Gap Energy of Cluster-Assembled Materials by Mandal, Sukhendu, Reber, Arthur C, Qian, Meichun, Weiss, Paul S, Khanna, Shiv N, Sen, Ayusman

“…Cluster-assembled materials combine the nanoscale size and composition-dependentproperties of clusters, which have highly tunable magnetic and electronic…”
Get full text

On the Existence of Designer Magnetic Superatoms by Zhang, Xinxing, Wang, Yi, Wang, Haopeng, Lim, Alane, Gantefoer, Gerd, Bowen, Kit H, Reveles, J. Ulises, Khanna, Shiv N

“…The quantum states in small, compact metal clusters are bunched into electronic shells with electronic orbitals resembling those in atoms, enabling…”
Get full text

Hund's rule in superatoms with transition metal impurities by Medel, Victor M, Reveles, Jose Ulises, Khanna, Shiv N, Chauhan, Vikas, Sen, Prasenjit, Castleman, A. Welford

“…The quantum states in metal clusters bunch into supershells with associated orbitals having shapes resembling those in atoms, giving rise to the concept that…”
Get full text

Reactive Nature of Dopamine as a Surface Functionalization Agent in Iron Oxide Nanoparticles by Shultz, Michael D, Reveles, J. Ulises, Khanna, Shiv N, Carpenter, Everett E

“…Dopamine forms an initial structure coordinated to the surface of the iron oxide nanoparticle as a result of improved orbital overlap of the five-membered ring…”
Get full text

Superatom Compounds, Clusters, and Assemblies:  Ultra Alkali Motifs and Architectures by Reber, Arthur C, Khanna, Shiv N, Castleman, A. Welford

“…It has recently been demonstrated that chosen clusters of specific size and composition can exhibit behaviors reminiscent of atoms in the periodic table and…”
Get full text

Tuning the electronic properties of hexanuclear cobalt sulfide superatoms via ligand substitution by Liu, Gaoxiang, Pinkard, Andrew, Ciborowski, Sandra M, Chauhan, Vikas, Zhu, Zhaoguo, Aydt, Alexander P, Khanna, Shiv N, Roy, Xavier, Bowen, Kit H

“…Molecular clusters are attractive superatomic building blocks for creating materials with tailored properties due to their unique combination of atomic…”
Get full text

Evolution of the Spin Magnetic Moments and Atomic Valence of Vanadium in VCux+, VAgx+, and VAux+ Clusters (x = 3-14) by Blades, William H, Reber, Arthur C, Khanna, Shiv N, López-Sosa, Luis, Calaminici, Patrizia, Köster, Andreas M

“…The atomic structures, bonding characteristics, spin magnetic moments, and stability of VCux+, VAgx+, and VAux+ (x = 3-14) clusters were examined using density…”
Get full text

Formation of Al13I-: Evidence for the superhalogen character of Al13 by BERGERON, Denis E, WELFORD CASTLEMAN, A. JR, MORISATO, Tsuguo, KHANNA, Shiv N

“…Al13- is a cluster known for the pronounced stability that arises from coincident closures of its geometric and electronic shells. We present experimental…”
Get full text

Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization by Biltek, Scott R, Reber, Arthur C, Khanna, Shiv N, Sen, Ayusman

“…The cluster series Ag4M2(DMSA)4 (M = Ni, Pd, Pt) has been synthesized and the optical spectra and stability have been examined as a function of the metal, M…”
Get full text

Isolation and Structural Characterization of a Silver–Platinum Nanocluster, Ag4Pt2(DMSA)4 by Biltek, Scott R, Sen, Ayusman, Pedicini, Anthony F, Reber, Arthur C, Khanna, Shiv N

“…We report the synthesis, isolation, and characterization of the ligand-protected bimetallic cluster, Ag4Pt2(DMSA)4 (DMSA = meso-2,3,-dimercaptosuccinic acid)…”
Get full text

Synthesis and Structural Characterization of an Atom-Precise Bimetallic Nanocluster, Ag4Ni2(DMSA)4 by Biltek, Scott R, Mandal, Sukhendu, Sen, Ayusman, Reber, Arthur C, Pedicini, Anthony F, Khanna, Shiv N

“…A bimetallic ligand-protected cluster, Ag4Ni2(DMSA)4 (DMSA = meso-2,3-dimercaptosuccinic acid) was synthesized and characterized through electrospray…”
Get full text

Reactivity Trends in the Oxidation of CO by Anionic Transition Metal Oxide Clusters by Reveles, J. Ulises, Johnson, Grant E, Khanna, Shiv N, Castleman, A. W

“…Evidence obtained by experiments in the gas phase and density functional theory calculations indicates that differences in the CO binding energy to the…”
Get full text

Using graphene to control magnetic anisotropy and interaction between supported clusters by Sahoo, Sanjubala, Islam, M Fhokrul, Khanna, Shiv N

“…Stabilization of magnetic order in clusters/nanoparticles at elevated temperatures is a fundamentally challenging problem. The magnetic anisotropy energy (MAE)…”
Get full text