High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives

Ultrahigh hydrogen storage capacity of holey graphyne

(2021) Yan Gao et al.   NANOTECHNOLOGY

Scandium decorated C24 fullerene as high capacity reversible hydrogen storage material: Insights from density functional theory simulations

(2021) Vikram Mahamiya et al.   APPLIED SURFACE SCIENCE

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

(2021) Rakesh K. Sahoo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

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

Selective decoration of nitrogenated holey graphene (C2N) with titanium clusters for enhanced hydrogen storage application

(2020) Puspamitra Panigrahi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

High capacity reversible hydrogen storage in titanium doped 2D carbon allotrope Ψ-graphene: Density Functional Theory investigations

(2020) Brahamananda Chakraborty et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Study on the hydrogen storage properties of the dual active metals Ni and Al doped graphene composites

(2019) Jian Gu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Application of hydrides in hydrogen storage and compression: Achievements, outlook and perspectives

(2019) Jose Bellosta von Colbe et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen storage behavior of magnesium catalyzed by nickel-graphene nanocomposites

(2019) Boris P. Tarasov et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First principles study on hydrogen storage in yttrium doped graphyne: Role of acetylene linkage in enhancing hydrogen storage

(2019) Abhijeet Gangan et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Lithium and sodium decorated graphdiyne as a candidate for hydrogen storage: First-principles and grand canonical Monte Carlo study

(2019) Yunhui Wang et al.   APPLIED SURFACE SCIENCE

The high capacity hydrogen storage material of Y-doped B40: A theoretical study

(2019) Yafei Zhang et al.   CHEMICAL PHYSICS LETTERS

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

(2018) Yafei Zhang et al.   CHEMICAL PHYSICS

Co-doped graphene sheets as a novel adsorbent for hydrogen storage: DFT and DFT-D3 correction dispersion study

(2018) Fatemeh Bakhshi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Transition metal decorated covalent triazine-based frameworks as a capacity hydrogen storage medium

(2018) Hongsheng He et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen storage on cation-decorated biphenylene carbon and nitrogenated holey graphene

(2018) Raúl Guerrero-Avilés et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

An Efficient Way To Suppress the Competition between Adsorption of H2 and Desorption of nH2–Nb Complex from Graphene Sheet: A Promising Approach to H2 Storage

(2018) Omar Faye et al.   Journal of Physical Chemistry C

Production, storage, fuel stations of hydrogen and its utilization in automotive applications-a review

(2017) Tiago Sinigaglia 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

Magnetic Moment Controlling Desorption Temperature in Hydrogen Storage: A Case of Zirconium-Doped Graphene as a High Capacity Hydrogen Storage Medium

(2017) A. Yadav et al.   Journal of Physical Chemistry C

Interaction of hydrogen with Pd- and co-decorated C 24 fullerenes: Density functional theory study

(2017) Alireza Soltani et al.   SYNTHETIC METALS

Hydrogen storage in multi-walled carbon nanotubes decorated with palladium nanoparticles using laser ablation/chemical reduction methods

(2017) M Mehrabi et al.   Materials Research Express

Mg-based Nanocomposites for Hydrogen Storage Containing Ti-Cr-V Alloys as Additives

(2016) Ricardo Floriano et al.   Materials Research-Ibero-american Journal of Materials

First principles investigation of hydrogen physical adsorption on graphynes' layers

(2015) Massimiliano Bartolomei et al.   CARBON

Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study

(2015) A. Lebon et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Prediction of hydrogen storage on Y-decorated graphene: A density functional theory study

(2014) Wenbo Liu et al.   APPLIED SURFACE SCIENCE

A comparative study of the reversible hydrogen storage behavior in several metal decorated graphyne

(2013) Yanhua Guo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Porous carbon-based materials for hydrogen storage: advancement and challenges

(2013) Yongde Xia et al.   Journal of Materials Chemistry A

Graphyne and Graphdiyne: Promising Materials for Nanoelectronics and Energy Storage Applications

(2012) K. Srinivasu et al.   Journal of Physical Chemistry C

Hydrogen Storage in Yttrium-Decorated Single Walled Carbon Nanotube

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

Study on the electronic structure and hydrogen adsorption by transition metal decorated single wall carbon nanotubes

(2012) P Modak et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Influence of the pore size in multi-walled carbon nanotubes on the hydrogen storage behaviors

(2012) Seul-Yi Lee et al.   JOURNAL OF SOLID STATE CHEMISTRY

Hydrogen as an energy carrier: Prospects and challenges

(2012) Kaveh Mazloomi et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Effective hydrogen storage: a strategic chemistry challenge

(2011) William I. F. David   FARADAY DISCUSSIONS

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

Titanium-decorated graphene for high-capacity hydrogen storage studied by density functional simulations

(2010) Yali Liu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Accurate defect levels obtained from the HSE06 range-separated hybrid functional

(2010) Peter Deák et al.   PHYSICAL REVIEW B

Effects of hydrogen chemisorption on the structure and deformation of single-walled carbon nanotubes

(2009) Andre R. Muniz et al.   APPLIED PHYSICS LETTERS

High capacity hydrogenstorage materials: attributes for automotive applications and techniques for materials discovery

(2009) Jun Yang et al.   CHEMICAL SOCIETY REVIEWS

Hydrogen adsorption behavior of graphene above critical temperature

(2009) Lai-Peng Ma et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen activation on organometallic complexes and H2 production, utilization, and storage for future energy

(2009) Gregory J. Kubas   JOURNAL OF ORGANOMETALLIC CHEMISTRY

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations

(2009) C. Ataca et al.   PHYSICAL REVIEW B

Functionalization of carbon-based nanostructures with light transition-metal atoms for hydrogen storage

(2008) E. Durgun et al.   PHYSICAL REVIEW B

Stability and Reversibility of LiBH4

(2007) Philippe Mauron et al.   JOURNAL OF PHYSICAL CHEMISTRY B