Construction of transition metal-decorated boron doped twin-graphene for hydrogen storage: A theoretical prediction

A review on current trends in potential use of metal-organic framework for hydrogen storage

(2021) Sachin P. Shet et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

MXenes: Emerging 2D materials for hydrogen storage

(2021) Pradip Kumar et al.   Nano Energy

Hydrogen adsorption properties of carbide-derived carbons at ambient temperature and high pressure

(2021) Lubna Naheed et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Enhanced hydrogen storage of a functional material: Hf2CF2 MXene with Li decoration

(2021) Aysenur Gencer et al.   APPLIED SURFACE SCIENCE

Empowering hydrogen storage properties of haeckelite monolayers via metal atom functionalization

(2021) Zhiyang Liu et al.   APPLIED SURFACE SCIENCE

First-principles calculation identification of ultrahigh hydrogen storage capacity in g-Mg3N2

(2021) Lixin Xiong et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Responses to comments on the paper “Two-dimensional Sc2C: A reversible and high capacity hydrogen storage material predicted by first-principles calculations”

(2020) Qianku Hu 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

Lithium metal hydrides (Li2CaH4 and Li2SrH4) for hydrogen storage; mechanical, electronic and optical properties

(2020) Selgin Al et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

MgScH15: A highly stable cluster for hydrogen storage

(2020) Hujie Chen et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A DFT study on the hydrogen storage performance of the Sb monolayer decorated with Li, Na or K

(2020) Ping Xi et al.   VACUUM

Design of three-dimensional nanotube-fullerene-interconnected framework for hydrogen storage

(2020) Mingmin Shi et al.   APPLIED SURFACE SCIENCE

Li-doped fullerene pillared graphene nanocomposites for enhancing hydrogen storage: A computational study

(2020) Celal Utku Deniz et al.   COMPUTATIONAL MATERIALS SCIENCE

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

A first-principles study of Li and Na co-decorated T4,4,4-graphyne for hydrogen storage

(2020) Qiang Wu 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

Excellent destabilization effect and ideal desorption temperature in the hydride Mg2FeH6 substituted with yttrium; a first principles study

(2020) Su-Il Ri et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Boron-nitride and boron-phosphide doped twin-graphene: Applications in electronics and optoelectronics

(2020) Jyotirmoy Deb et al.   APPLIED SURFACE SCIENCE

First-principles investigations of the structural, optoelectronic, magnetic and thermodynamic properties of hydride perovskites XCuH3 (X = Co, Ni, Zn) for hydrogen storage applications

(2020) Shafqat Hayat et al.   OPTIK

First-principles study of hydrogen storage on Ca-decorated defective boron nitride nanosheets

(2020) Liangcai Ma et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Improved thermodynamic properties of doped LiBH4 for hydrogen storage: First-principal calculation

(2019) H. Benzidi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

First-principles study of V-decorated porous graphene for hydrogen storage

(2019) Lihua Yuan et al.   CHEMICAL PHYSICS LETTERS

Effect of boron substitution on hydrogen storage in Ca/DCV graphene: A first-principle study

(2019) Esra Eroglu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping

(2019) Puspamitra Panigrahi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Structural and electronic properties of BN co-doped and BN analogue of twin graphene sheets: A density functional theory study

(2019) Roya Majidi et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

A DFT study of the enhanced hydrogen storage performance of the Li-decorated graphene nanoribbons

(2019) Na Zheng et al.   VACUUM

New insights into the solid-state hydrogen storage of nanostructured LiBH4-MgH2 system

(2019) Zhao Ding et al.   CHEMICAL ENGINEERING JOURNAL

Predicting the hydrogen release ability of LiBH4-based mixtures by ensemble machine learning

(2019) Zhao Ding et al.   Energy Storage Materials

First-principles studies on 3d transition metal atom adsorbed twin graphene

(2018) Lele Li et al.   APPLIED SURFACE SCIENCE

First-principles investigation on hydrogen storage performance of Li, Na and K decorated borophene

(2018) Lifuzi Wang et al.   APPLIED SURFACE SCIENCE

A comparative study on dehydrogenation of Mg-doped LiBH4 and Li2B12H12 from first-principles calculations

(2018) Xiaohua Mo et al.   COMPUTATIONAL MATERIALS SCIENCE

Strain-induced switch for hydrogen storage in cobalt-decorated nitrogen-doped graphene

(2018) Xiongyi Liang et al.   APPLIED SURFACE SCIENCE

A first-principles study of Sc-decorated graphene with pyridinic-N defects for hydrogen storage

(2017) Zhifen Luo et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen storage on bare Cu atom and Cu-functionalized boron-doped graphene: A first principles study

(2017) Omar Faye et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Li-decorated porous graphene as a high-performance hydrogen storage material: A first-principles study

(2017) Fengdi Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Ca-decorated novel boron sheet: A potential hydrogen storage medium

(2016) Jianchuan Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Mean squared displacement from fluorescence correlation spectroscopy

(2016) Jakub Kubečka et al.   Soft Matter

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

Hydrogen storage in porous graphene with Al decoration

(2014) Zhimin Ao et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Calcium doped graphane as a hydrogen storage material

(2012) T. Hussain et al.   APPLIED PHYSICS LETTERS

Prominently Improved Hydrogen Purification and Dispersive Metal Binding for Hydrogen Storage by Substitutional Doping in Porous Graphene

(2012) Ruifeng Lu 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

Edge-decorated graphene nanoribbons by scandium as hydrogen storage media

(2012) Menghao Wu et al.   Nanoscale

Metal-dispersed porous graphene for hydrogen storage

(2011) Pakpoom Reunchan et al.   APPLIED PHYSICS LETTERS

Hydrogen Storage in Metal–Organic Frameworks

(2011) Myunghyun Paik Suh et al.   CHEMICAL REVIEWS

Titanium-embedded graphene as high-capacity hydrogen-storage media

(2011) Shibing Chu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of the damping function in dispersion corrected density functional theory

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

DFT Study of Hydrogen Adsorption on Palladium Decorated Graphene

(2011) Ignacio López-Corral et al.   Journal of Physical Chemistry C

Materials for Hydrogen Storage: Past, Present, and Future

(2011) Puru Jena   Journal of Physical Chemistry Letters

A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage

(2010) Elham Beheshti et al.   CARBON

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

Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

(2010) Hoonkyung Lee et al.   NANO LETTERS

High-capacity hydrogen storage in Al-adsorbed graphene

(2010) Z. M. Ao et al.   PHYSICAL REVIEW B

First-principles study on the enhancement of lithium storage capacity in boron doped graphene

(2009) Xianlong Wang et al.   APPLIED PHYSICS LETTERS

First-principles study of Pd-decorated carbon nanotube for hydrogen storage

(2009) H. Xiao et al.   CHEMICAL PHYSICS LETTERS

Al doped graphene: A promising material for hydrogen storage at room temperature

(2009) Z. M. Ao et al.   JOURNAL OF APPLIED PHYSICS

Hydrogen Storage on Metal-Coated B80 Buckyballs with Density Functional Theory

(2009) Guangfen Wu et al.   Journal of Physical Chemistry C

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

(2009) Hoonkyung Lee et al.   PHYSICAL REVIEW B

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

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

High-capacity hydrogen storage by metallized graphene

(2008) C. Ataca et al.   APPLIED PHYSICS LETTERS

New sorbents for hydrogen storage by hydrogen spillover – a review

(2008) Lifeng Wang et al.   Energy & Environmental Science

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

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

Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS