Boosting the de-/rehydrogenation properties of MgH2 with the addition of BaCoF4
In this study, the effect of barium cobalt fluoride (BaCoF 4) on the de-/rehydrogenation
properties of magnesium hydride (MgH 2) was investigated for the first time. It was found that …
properties of magnesium hydride (MgH 2) was investigated for the first time. It was found that …
Synthesis, anticancer evaluation and docking studies of novel adamantanyl-1, 3, 4-oxadiazol hybrid compounds as Aurora-A kinase inhibitors
AM Jaber, MM Al-Mahadeen, RA Al-Qawasmeh… - Medicinal Chemistry …, 2023 - Springer
Cancer is a devastating disease, but advancements in cancer treatment offer hope for the
future. Aurora kinases are a family of serine/threonine kinases that play critical roles in cell …
future. Aurora kinases are a family of serine/threonine kinases that play critical roles in cell …
Remarkable improvement in hydrogen storage capabilities of graphitic carbon nitride nanosheets under selected transition metal embedding: a DFT study
A Habibi-Yangjeh, H Basharnavaz - International Journal of Hydrogen …, 2021 - Elsevier
The adsorption performance of hydrogen molecules over the transition metals (TM= Os, Ru,
and Fe)-embedded graphitic carbon nitride (gCN) and also the binding energy of these TM …
and Fe)-embedded graphitic carbon nitride (gCN) and also the binding energy of these TM …
Synthesis of BaFe12O19 by solid state method and its effect on hydrogen storage properties of MgH2
Previous studies have shown that ferrites give a positive effect in improving the hydrogen
sorption properties of magnesium hydride (MgH 2). In this study, another ferrite, ie, BaFe 12 …
sorption properties of magnesium hydride (MgH 2). In this study, another ferrite, ie, BaFe 12 …
Electronic structure calculations of hydrogen storage in lithium-decorated metal–graphyne framework
S Kumar, TJ Dhilip Kumar - ACS applied materials & interfaces, 2017 - ACS Publications
Porous metal–graphyne framework (MGF) made up of graphyne linker decorated with
lithium has been investigated for hydrogen storage. Applying density functional theory spin …
lithium has been investigated for hydrogen storage. Applying density functional theory spin …
First principle study of reversible hydrogen storage in Sc grafted Calix [4] arene and Octamethylcalix [4] arene
The use of hydrogen as a sustainable clean energy source has several benefits, such as
reduction in dependency on petroleum fuel and emission of green house gases, and …
reduction in dependency on petroleum fuel and emission of green house gases, and …
A Density Functional Theory study of molecular hydrogen adsorption on Mg site in OFF type zeolite cluster
In this study, hydrogen molecule adsorption was investigated on additional framework of Mg
atom in OFF type zeolite by way of DFT (Density Functional Theory). The adsorption …
atom in OFF type zeolite by way of DFT (Density Functional Theory). The adsorption …
Hydrogen sorption efficiency of titanium decorated calix [4] pyrroles
Hydrogen is a promising and the most environmentally friendly energy carrier due to its
renewable nature and it is expected to replace fossil fuels. The hydrogen storage properties …
renewable nature and it is expected to replace fossil fuels. The hydrogen storage properties …
Alkali, alkaline earth, and transition metal substitutional doped BN-adamantane as a hydrogen storage material: A density functional theory study
Highlights•Four metal doped BN admantane (BNA) shows higher H 2 uptake capacity upto
16.15 wt%.•High values of cohesive energy for metal doped BNA indicate thermodynamic …
16.15 wt%.•High values of cohesive energy for metal doped BNA indicate thermodynamic …
Scandium Substituted Adamantane, Si Adamantane, Ge Adamantane Cages and Their Derivatives for Hydrogen Storage: A DFT Analysis
Adamantane and its derivatives are designed and analyzed for their hydrogen storage
properties after scandium substitution using density functional theory approach. A total of …
properties after scandium substitution using density functional theory approach. A total of …