Lithium decorated C 3 N as high capacity reversible hydrogen storage material: Insights from density functional theory

Ultrahigh hydrogen storage capacity of holey graphyne

(2021) Yan Gao et al.   NANOTECHNOLOGY

An investigation of Li-decorated N-doped penta-graphene for hydrogen storage

(2021) Jinbo Hao et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

(2021) Shuai Dong et al.   FUEL

Van der Waals heterostructures of MoS2 and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC3, C3N, C3N4 and C4N3) nanosheets: a first-principles study

(2020) Asdollah Baafekry et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Fluorine passivation of ODC defects in amorphous germanium dioxide

(2020) Xiaoning Guan et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Bandgap Tuning of C3N monolayer: A First-Principles Study

(2019) Liyan Xie et al.   CHEMICAL PHYSICS

Boron‐ and nitrogen‐doped penta‐graphene as a promising material for hydrogen storage: A computational study

(2019) Nadaraj Sathishkumar et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

A Flexible, Robust, and Gel-Free Electroencephalogram Electrode for Noninvasive Brain-Computer Interfaces

(2019) Sen Lin et al.   NANO LETTERS

Adsorption of molecules on C3N nanosheet: A first-principles calculations

(2019) A. Bafekry et al.   CHEMICAL PHYSICS

A comparative investigation of metal (Li, Ca and Sc)-decorated 6,6,12-graphyne monolayers and 6,6,12-graphyne nanotubes for hydrogen storage

(2019) Guang Wu et al.   APPLIED SURFACE SCIENCE

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

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

(2019) Na Zheng et al.   VACUUM

Benchmark Study of Hydrogen Storage in Metal–Organic Frameworks under Temperature and Pressure Swing Conditions

(2018) Paula García-Holley et al.   ACS Energy Letters

Li-decorated Pmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional theory study

(2018) A. Lebon et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Tailoring the capability of carbon nitride (C3N) nanosheets toward hydrogen storage upon light transition metal decoration

(2018) Omar Faye et al.   NANOTECHNOLOGY

Trap effects on vacancy defect of C3N as anode material in Li-ion battery

(2018) Gen-Cai Guo et al.   APPLIED SURFACE SCIENCE

Ab initio study on hydrogen interaction with calcium decorated silicon carbide nanotube

(2017) Jessiel Siaron Gueriba et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

A first principles study of hydrogen storage in lithium decorated defective phosphorene

(2017) Sandip Haldar et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Computational characterization of monolayer C3N: A two-dimensional nitrogen-graphene crystal

(2017) Xiaodong Zhou et al.   JOURNAL OF MATERIALS RESEARCH

Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N

(2017) Meysam Makaremi et al.   Journal of Physical Chemistry C

Study of 2D MXene Cr 2 C material for hydrogen storage using density functional theory

(2016) A. Yadav et al.   APPLIED SURFACE SCIENCE

Calcium decorated two dimensional carbon allotropes for hydrogen storage: A first-principles study

(2016) Rui Pan et al.   COMPUTATIONAL MATERIALS SCIENCE

A novel candidate for hydrogen storage: Ca-decorated zigzag C3N nanotube

(2016) Farzad Molani et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Enhanced hydrogen storage by using lithium decoration on phosphorene

(2016) Zhiyuan Yu et al.   JOURNAL OF APPLIED PHYSICS

Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state

(2016) Javeed Mahmood et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

TM@gt-C3N3 monolayers: high-temperature ferromagnetism and high anisotropy

(2016) Indrani Choudhuri et al.   Journal of Materials Chemistry C

Si-decorated graphene: A promising media for molecular hydrogen storage

(2015) M. Darvish Ganji et al.   APPLIED SURFACE SCIENCE

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

A first principles study of hydrogen storage on lithium decorated two dimensional carbon allotropes

(2015) Shwetank Yadav et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Al-decorated carbon nanotube as the molecular hydrogen storage medium

(2014) S. Seenithurai et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Defect engineering of graphene for effective hydrogen storage

(2014) Shwetank Yadav et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Modulation of the Electronic Properties of Ultrathin Black Phosphorus by Strain and Electrical Field

(2014) Yan Li et al.   Journal of Physical Chemistry C

Modulating the atomic and electronic structures through alloying and heterostructure of single-layer MoS2

(2013) Xiao-Lin Wei et al.   Journal of Materials Chemistry A

Molecular adsorption on metal surfaces with van der Waals density functionals

(2012) Guo Li et al.   PHYSICAL REVIEW B

Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

(2010) Natarajan Sathiyamoorthy Venkataramanan et al.   CHEMICAL PHYSICS

Hydrogen storage in carbon nanotubes revisited

(2009) Chang Liu et al.   CARBON

First-principles study of hydrogen storage over Ni and Rh doped BN sheets

(2009) Natarajan Sathiyamoorthy Venkataramanan et al.   CHEMICAL PHYSICS

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

(2009) C. Ataca 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

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

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