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 …
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 …
prediction in 1981 and experimental verification in 1999, such species have attracted …
Superhalogens as Building Blocks of Halogen‐Free Electrolytes in Lithium‐Ion Batteries
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 …
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
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 …
geometry, can be applied to develop high-performance hydrogen storage materials …
Stability of B12(CN)122−: Implications for Lithium and Magnesium Ion Batteries
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 …
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
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 …
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 …
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 …
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) …
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 …
properties can be synthesized from them. Superalkali NM 4 clusters with homo-and hetero …