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 …
Spectroscopic and theoretical studies of transition metal oxides and dioxygen complexes
Y Gong, M Zhou, L Andrews - Chemical reviews, 2009 - ACS Publications
Dioxygen binding and activation at metal centers are of major importance in a wide range of
catalytic and biological processes. Metal oxides and dioxygen complexes are potential …
catalytic and biological processes. Metal oxides and dioxygen complexes are potential …
Beyond the periodic table of elements: The role of superatoms
P Jena - The journal of physical chemistry letters, 2013 - ACS Publications
Atomic clusters composed of homo or heteroatomic species constitute an intermediate
phase of matter where every atom counts and whose properties depend on their size …
phase of matter where every atom counts and whose properties depend on their size …
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 …
Superalkalis and superhalogens as building blocks of supersalts
Alkali metal cations and halogen anions are well-known components of salts. New classes
of molecules referred to as superalkalis and superhalogens exist whose properties …
of molecules referred to as superalkalis and superhalogens exist whose properties …
[PDF][PDF] Hyperhalogens: discovery of a new class of highly electronegative species
M Willis, M Götz, AK Kandalam, GF Ganteför… - Angewandte Chemie …, 2010 - wcupa.edu
Electron affinity (EA), defined as the amount of energy necessary to remove an electron from
an anion, plays a dominant role in reactivity. This is evidenced by halogen atoms, whose …
an anion, plays a dominant role in reactivity. This is evidenced by halogen atoms, whose …
Systematic study of oxo, peroxo, and superoxo isomers of 3d-metal dioxides and their anions
GL Gutsev, BK Rao, P Jena - The Journal of Physical Chemistry A, 2000 - ACS Publications
The electronic and geometrical structures of the ground and excited states of the 3d-metal
dioxides ScO2, TiO2, VO2, CrO2, MnO2, FeO2, CoO2, NiO2, CuO2, and ZnO2 along with …
dioxides ScO2, TiO2, VO2, CrO2, MnO2, FeO2, CoO2, NiO2, CuO2, and ZnO2 along with …
Electronic structure of chromium oxides, and from photoelectron spectroscopy and density functional theory calculations
The electronic structure of CrO n− and CrO n (n= 1–5) was investigated using anion
photoelectron spectroscopy and density functional theory. Photoelectron spectra of CrO n …
photoelectron spectroscopy and density functional theory. Photoelectron spectra of CrO n …
Superhalogen properties of fluorinated coinage metal clusters
Equilibrium geometries and ground state spin multiplicities of neutral and anionic coinage
metal fluoride XF n clusters (X= Cu, Ag, and Au; n= 1− 7) are obtained from density …
metal fluoride XF n clusters (X= Cu, Ag, and Au; n= 1− 7) are obtained from density …
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 …