The hydrogen storage capacity of Sc atoms decorated porous boron fullerene B40: a DFT study
C Tang, X Zhang - International Journal of Hydrogen Energy, 2016 - Elsevier
The hydrogen storage capacity of transition metal Sc atoms decorated porous boron
fullerene B 40 is investigated by the pseudopotential density functional method. The B 40 …
fullerene B 40 is investigated by the pseudopotential density functional method. The B 40 …
DFT simulation on hydrogen storage property over Sc decorated B38 fullerene
P Liu, F Liu, Q Wang, Q Ma - International Journal of Hydrogen Energy, 2018 - Elsevier
In this study, the structural stability and hydrogen adsorption of Sc@ B 38 are investigated
using density functional theory (DFT). Sc atoms are found to be sufficiently bonded to the B …
using density functional theory (DFT). Sc atoms are found to be sufficiently bonded to the B …
Transition metal Ti coated porous fullerene C24B24: potential material for hydrogen storage
C Tang, S Chen, W Zhu, J Kang, X He… - International Journal of …, 2015 - Elsevier
The hydrogen storage capacity of transition metal Ti atoms decorated porous fullerene C 24
B 24 is investigated by the pseudopotential density functional method. The C 24 B 24 cage …
B 24 is investigated by the pseudopotential density functional method. The C 24 B 24 cage …
On enhanced hydrogen adsorption on alkali (cesium) doped C60 and effects of the quantum nature of the H2 molecule on physisorption energies
Hydrogen storage by physisorption in carbon based materials is hindered by low adsorption
energies. In the last decade doping of carbon materials with alkali, earth alkali or other metal …
energies. In the last decade doping of carbon materials with alkali, earth alkali or other metal …
Hydrogen Sorption in Li12C60
P Mauron, M Gaboardi, A Remhof… - The Journal of …, 2013 - ACS Publications
The lithium-intercalated fulleride Li12C60 was investigated in view of a lightweight hydrogen
storage material due to the low molecular weight of its constituents. Deuterium (D2) …
storage material due to the low molecular weight of its constituents. Deuterium (D2) …
Reversible Hydrogen Storage in a LiBH4–C60 Nanocomposite
PA Ward, JA Teprovich Jr, B Peters… - The Journal of …, 2013 - ACS Publications
Reversible hydrogen storage in a LiBH4: C60 nanocomposite (70: 30 wt%) synthesized by
solvent-assisted mixing has been demonstrated. During the solvent-assisted mixing and …
solvent-assisted mixing has been demonstrated. During the solvent-assisted mixing and …
Evaluation of the physi-and chemisorption of hydrogen in alkali (Na, Li) doped fullerenes
PA Ward, JA Teprovich Jr, RN Compton… - international journal of …, 2015 - Elsevier
In this study, alkali doped fullerenes synthesized by two different solvent assisted mixing
techniques are compared for their hydrogen uptake activity. In particular, we investigated the …
techniques are compared for their hydrogen uptake activity. In particular, we investigated the …
Experimental and Theoretical Analysis of Fast Lithium Ionic Conduction in a LiBH4–C60 Nanocomposite
JA Teprovich Jr, HR Colón-Mercado… - The Journal of …, 2014 - ACS Publications
We have developed a LiBH4–C60 nanocomposite that displays fast lithium ionic conduction
in the solid state. The material is a homogeneous nanocomposite that contains both LiBH4 …
in the solid state. The material is a homogeneous nanocomposite that contains both LiBH4 …
Relaxation dynamics and phase transitions in ionic liquids: viscoelastic properties from the liquid to the solid state
In the present work we performed low-frequency mechanical spectroscopy experiments to
measure the mechanical modulus of two ionic liquids and its variation during the main …
measure the mechanical modulus of two ionic liquids and its variation during the main …
Hydrogen desorption kinetics in metal intercalated fullerides
P Mauron, M Gaboardi, D Pontiroli… - The Journal of …, 2015 - ACS Publications
For different hydrogenated metal intercalated fullerides (Na10C60-H, Li12C60-H, and
Li28C60-H) the activation energies for hydrogen desorption were determined by DSC. The …
Li28C60-H) the activation energies for hydrogen desorption were determined by DSC. The …