Advances in cluster superatoms for a 3D periodic table of elements
Z Luo, S Lin - Coordination Chemistry Reviews, 2024 - Elsevier
Clusters that mimic elemental atoms in the periodic table are known as superatoms which
open up a new window to design functional materials and catalysts by atomic construction …
open up a new window to design functional materials and catalysts by atomic construction …
Atomic clusters: Structure, reactivity, bonding, and dynamics
Atomic clusters lie somewhere in between isolated atoms and extended solids with distinctly
different reactivity patterns. They are known to be useful as catalysts facilitating several …
different reactivity patterns. They are known to be useful as catalysts facilitating several …
Li-decorated double vacancy graphene for hydrogen storage application: a first principles study
Lithium decoration is an effective strategy for improving the hydrogen adsorption binding
energy and the storage capacity in carbon nanostructures. Here, it is shown that Li …
energy and the storage capacity in carbon nanostructures. Here, it is shown that Li …
Hydrogen adsorption and storage on Palladium–functionalized graphene with NH-dopant: A first principles calculation
We conducted a detailed theoretical investigation of the structural and electronic properties
of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized …
of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized …
Hydrogen storage on bare Cu atom and Cu-functionalized boron-doped graphene: A first principles study
A detailed theoretical investigation of the structural and electronic properties of Cu-type
substrates as well as the interaction between adsorbed H 2 molecules and the surfaces of …
substrates as well as the interaction between adsorbed H 2 molecules and the surfaces of …
H2 storage capacity of Li-doped five member aromatic heterocyclic superalkali complexes; an in silico study
Hydrogen adsorption characteristics of different Li dopped aromatic five-membered
heterocyclic (Ar) systems; have been studied [Ar= Imidazole, Pyrazole, Oxazole, Isoxazole …
heterocyclic (Ar) systems; have been studied [Ar= Imidazole, Pyrazole, Oxazole, Isoxazole …
Li (0)-Pyridine (1: 1) Template for Efficient Hydrogen Storage
The Globe's frightening pace of unfavourable environmental effects is a direct outcome of
the increasing dependency on fossil fuels, which depletes energy supplies and drives the …
the increasing dependency on fossil fuels, which depletes energy supplies and drives the …
Remarkable hydrogen storage on beryllium oxide clusters: first-principles calculations
R Shinde, M Tayade - The Journal of Physical Chemistry C, 2014 - ACS Publications
Since the current transportation sector is the largest consumer of oil, and subsequently
responsible for major air pollutants, it is inevitable to use alternative renewable sources of …
responsible for major air pollutants, it is inevitable to use alternative renewable sources of …
C5Li7+ and O2Li5+ as Noble‐Gas‐Trapping Agents
The noble‐gas‐trapping ability of the star‐shaped C5Li7+ cluster and O2Li5+ super‐alkali
cluster is studied by using ab initio and density functional theory (DFT) at the MP2 and M05 …
cluster is studied by using ab initio and density functional theory (DFT) at the MP2 and M05 …
Hockey-stick-shaped mesogens based on 1, 3, 4-thiadiazole: synthesis, mesomorphism, photophysical and DFT studies
ABSTRACT New hockey-stick-shaped 2, 5-diphenyl-1, 3, 4-thiadiazole-containing
mesogens have been designed and synthesised. These molecules possess 4-n-alkoxy …
mesogens have been designed and synthesised. These molecules possess 4-n-alkoxy …