Reversible hydrogen storage on alkali metal (Li and Na) decorated C20 fullerene: A density functional study

Hydrogen storage capacity of low-lying isomer of C24 functionalized with Ti

(2020) Rohit Y. Sathe et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of the N/P/S and transition-metal co-doping on the quantum capacitance of supercapacitor electrodes based on mono- and multilayer graphene

(2020) Qingxiao Zhou et al.   CARBON

Hydrogen storage in scandium doped small boron clusters (BnSc2, n=3–10): A density functional study

(2019) Shakti S. Ray et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Mg@C60 nano-lamellae and its 12.50 wt% hydrogen storage capacity

(2019) Ying Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Novel hierarchical sea urchin-like Prussian blue@palladium core–shell heterostructures supported on nitrogen-doped reduced graphene oxide: Facile synthesis and excellent guanine sensing performance

(2019) Junhua Li et al.   ELECTROCHIMICA ACTA

Stable structures of exohedrally decorated C 60 -fullerenes

(2018) Deb Sankar De et al.   CARBON

Hydrogen storage property of alkali and alkaline-earth metal atoms decorated C 24 fullerene: A DFT study

(2018) Yafei Zhang et al.   CHEMICAL PHYSICS

Enhanced Hydrogen-Storage Capacity and Structural Stability of an Organic Clathrate Structure with Fullerene (C60) Guests and Lithium Doping

(2018) Yesol Woo et al.   CHEMISTRY OF MATERIALS

Structural, electrical and optical properties of Li n @C 20 ( n  = 1–6) nanoclusters

(2018) Zohreh Khajehali et al.   COMPTES RENDUS CHIMIE

Boron substitution effect on adsorption of H 2 molecules on organometallic complexes

(2018) Priyanka Tavhare et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The interaction of hydrogen with Li-coated C 70 fullerene: A DFT study

(2018) Maryam Anafcheh et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Decoration of doped C 60 fullerene with alkali metals: Prototype nanomaterial with enhanced binding energy toward hydrogen

(2017) Akbar Omidvar et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

On enhanced hydrogen adsorption on alkali (cesium) doped C 60 and effects of the quantum nature of the H 2 molecule on physisorption energies

(2017) Alexander Kaiser et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A DFT study of the hydrogen storage potentials and properties of Na- and Li-doped fullerenes

(2017) HongJiang Ren et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Investigation of graphene-based systems for hydrogen storage

(2017) Hamid Ghorbani Shiraz et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Hydrogen Storage Technologies for Future Energy Systems

(2017) Patrick Preuster et al.   Annual Review of Chemical and Biomolecular Engineering

Molecular hydrogen storage in fullerenes – A dispersion-corrected density functional theory study

(2016) D.J. Durbin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogenation mechanism of small fullerene cages

(2016) A.A. EL-Barbary   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen Desorption Kinetics in Metal Intercalated Fullerides

(2015) Philippe Mauron et al.   Journal of Physical Chemistry C

DFT study of hydrogen storage in Pd-decorated C60fullerene

(2015) A. M. El Mahdy   MOLECULAR PHYSICS

Designs of fullerene-based frameworks for hydrogen storage

(2014) Yi Gao et al.   Journal of Materials Chemistry A

Hydrogen Storage in Yttrium-Decorated Single Walled Carbon Nanotube

(2012) Brahmananda Chakraborty et al.   Journal of Physical Chemistry C

High-capacity hydrogen storage medium: Ti doped fullerene

(2011) Jun Guo et al.   APPLIED PHYSICS LETTERS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Functionalized heterofullerenes for hydrogen storage

(2009) Qiang Sun et al.   APPLIED PHYSICS LETTERS

Storage of hydrogen in nanostructured carbon materials

(2009) Yuda Yürüm et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen storage capacity of C60(OM)12 (M=Li and Na) clusters

(2009) Qi Peng et al.   JOURNAL OF CHEMICAL PHYSICS

Calcium-decorated carbon nanotubes for high-capacity hydrogen storage: First-principles calculations

(2009) Hoonkyung Lee et al.   PHYSICAL REVIEW B

Why Li Doping in MOFs Enhances H2 Storage Capacity? A Multi-scale Theoretical Study

(2008) A. Mavrandonakis et al.   Journal of Physical Chemistry C

Structure, Stability, Edge States, and Aromaticity of Graphene Ribbons

(2008) Tobias Wassmann et al.   PHYSICAL REVIEW LETTERS

Titanium-functional group complexes for high-capacity hydrogen storage materials

(2008) Hoonkyung Lee et al.   SOLID STATE COMMUNICATIONS

Alkali-Metal-Induced Enhancement of Hydrogen Adsorption in C60Fullerene:  Anab InitioStudy

(2007) K. R. S. Chandrakumar et al.   NANO LETTERS