High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
出版年份 2022 全文链接
标题
High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
作者
关键词
Hydrogen storage, Holey graphyne, DFT-D2, Gravimetric weight percentage, Diffusion energy, MD simulations
出版物
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 47, Issue 12, Pages 7870-7883
出版商
Elsevier BV
发表日期
2022-01-04
DOI
10.1016/j.ijhydene.2021.12.112
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- 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
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started