Super atomic clusters: design rules and potential for building blocks of materials

P Jena, Q Sun - Chemical reviews, 2018 - ACS Publications
Atomic clusters, consisting of a few to a few thousand atoms, have emerged over the past 40
years as the ultimate nanoparticles, whose structure and properties can be controlled one …

Recent progress on the design and applications of superhalogens

AK Srivastava - Chemical Communications, 2023 - pubs.rsc.org
The research on superhalogens has successfully completed four decades. After their
prediction in 1981 and experimental verification in 1999, such species have attracted …

Superhalogens as Building Blocks of Halogen‐Free Electrolytes in Lithium‐Ion Batteries

S Giri, S Behera, P Jena - Angewandte Chemie International …, 2014 - Wiley Online Library
Most electrolytes currently used in Li‐ion batteries contain halogens, which are toxic. In the
search for halogen‐free electrolytes, we studied the electronic structure of the current …

Computational evaluation of superalkali-decorated graphene nanoribbon as advanced hydrogen storage materials

P Gao, J Li, G Wang - International Journal of Hydrogen Energy, 2021 - Elsevier
In this study, we proposed that homo superalkali NM 4 clusters with high tetrahedral
geometry, can be applied to develop high-performance hydrogen storage materials …

Stability of B12(CN)122−: Implications for Lithium and Magnesium Ion Batteries

H Zhao, J Zhou, P Jena - Angewandte Chemie, 2016 - Wiley Online Library
Multiply charged negative ions are seldom stable in the gas phase. Electrostatic repulsion
leads either to autodetachment of electrons or fragmentation of the parent ion. With a …

NLO properties and electride characteristics of superalkalis doped all-cis-1, 2, 3, 4, 5, 6-hexafluorocyclohexane complexes

N Kosar, L Zari, K Ayub, MA Gilani, M Arshad, A Rauf… - Optik, 2022 - Elsevier
The designing and synthesis of efficient NLO materials is the demand of the century
because of their importance in the development of photo-electronic devices. Herein, we …

Rational design of super-alkalis and their role in CO 2 activation

T Zhao, Q Wang, P Jena - Nanoscale, 2017 - pubs.rsc.org
Super-alkalis are clusters of atoms. With ionization potentials smaller than those of the alkali
atoms, they are playing an increasing role in chemistry as highlighted by recent applications …

Boronyl-based polycyclic superhalogens

AK Srivastava - The Journal of Physical Chemistry A, 2023 - ACS Publications
Superhalogenity refers to the tendency of radicals to have higher electron affinity (EA) than
halogens or anions to possess higher vertical detachment energy (VDE) than do halides …

A simple strategy to design polycyclic superhalogens

AK Srivastava - The Journal of Physical Chemistry A, 2023 - ACS Publications
Polycyclic hydrocarbon (PH) radicals and anions such as C9H7–, C11H7–, C13H9–, and
C15H9–generally possess low electron affinity (EA) and vertical detachment energy (VDE) …

[HTML][HTML] Superalkali NM4 (M= Li, Na, K): stabilities and electronic structures

Z Zhang, H Chen - Physics Letters A, 2019 - Elsevier
Superatoms are clusters that mimic the chemistry of atoms and new materials with unique
properties can be synthesized from them. Superalkali NM 4 clusters with homo-and hetero …