标题
Lithium clusters on graphene surface and their ability to adsorb hydrogen molecules
作者
关键词
Adsorption, Graphene, Hydrogen molecules, Lithium cluster, Density functional theory
出版物
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume -, Issue -, Pages -
出版商
Elsevier BV
发表日期
2021-05-12
DOI
10.1016/j.ijhydene.2021.04.028
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。- Hydrogen storage on uncharged and positively charged Mg-decorated graphene
- (2019) Zahra Amaniseyed et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- A DFT study of H2 adsorption on lithium decorated 3D hybrid Boron-Nitride-Carbon frameworks
- (2019) Lan Bi et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Stabilized Li-decoration and enhanced hydrogen storage on reduced graphene oxides
- (2019) Dan Luo et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Lithium decoration of boron-doped hybrid fullerenes and nanotubes as a novel 3D architecture for enhanced hydrogen storage: A DFT study
- (2018) Lan Bi 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
- Lithium diffusion in graphene and graphite: Effect of edge morphology
- (2016) Ermias Girma Leggesse et al. CARBON
- Density functional theory study of Li binding to graphene
- (2016) Guangmin Yang et al. RSC Advances
- A technical and environmental comparison between hydrogen and some fossil fuels
- (2015) Giovanni Nicoletti et al. ENERGY CONVERSION AND MANAGEMENT
- 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
- Theoretical study of H 2 adsorption on metal-doped graphene sheets with nitrogen-substituted defects
- (2015) Dewei Rao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Binding energies of small lithium clusters: A comparison of different theoretical calculations
- (2014) B.G.A. Brito et al. CHEMICAL PHYSICS LETTERS
- Hydrogen storage in Li dispersed graphene with Stone–Wales defects: A first-principles study
- (2014) Dongseong Kim et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Li-decorated double vacancy graphene for hydrogen storage application: A first principles study
- (2014) S. Seenithurai 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
- A first-principles study of lithium-decorated hybrid boron nitride and graphene domains for hydrogen storage
- (2014) Zi-Yu Hu et al. JOURNAL OF CHEMICAL PHYSICS
- First-Principles Studies of Li Nucleation on Graphene
- (2014) Mingjie Liu et al. Journal of Physical Chemistry Letters
- Adsorption of Single Li and the Formation of Small Li Clusters on Graphene for the Anode of Lithium-Ion Batteries
- (2013) Xiaofeng Fan et al. ACS Applied Materials & Interfaces
- NBO 6.0: Natural bond orbital analysis program
- (2013) Eric D. Glendening et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Structural and electronic properties of stable Lin (n=2–10) clusters: A density functional study
- (2013) Pawan Chetri et al. PHYSICA B-CONDENSED MATTER
- Strain induced lithium functionalized graphane as a high capacity hydrogen storage material
- (2012) Tanveer Hussain et al. APPLIED PHYSICS LETTERS
- Calcium doped graphane as a hydrogen storage material
- (2012) T. Hussain et al. APPLIED PHYSICS LETTERS
- Hydrogen spillover storage on Ca-decorated graphene
- (2012) Yan Gao et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Lithium-decorated oxidized porous graphene for hydrogen storage by first principles study
- (2012) Shi-han Huang et al. JOURNAL OF APPLIED PHYSICS
- Lithium Adsorption on Graphene: From Isolated Adatoms to Metallic Sheets
- (2012) A. M. Garay-Tapia et al. Journal of Chemical Theory and Computation
- Interaction between an icosahedron Li13 cluster and a graphene layer doped with a hydrogen atom
- (2012) Eduardo Rangel et al. JOURNAL OF MOLECULAR MODELING
- Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
- (2012) Eunseok Lee et al. NANO LETTERS
- Ab initio study of lithium-doped graphane for hydrogen storage
- (2011) Tanveer Hussain et al. EPL
- Hydrogen adsorption around lithium atoms anchored on graphene vacancies
- (2011) E. Rangel et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Titanium-embedded graphene as high-capacity hydrogen-storage media
- (2011) Shibing Chu et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Improving the Chemical Reactivity of Single-Wall Carbon Nanotubes with Lithium Doping
- (2011) Pablo A. Denis Journal of Physical Chemistry C
- Chemical Reactivity of Lithium Doped Monolayer and Bilayer Graphene
- (2011) Pablo A. Denis Journal of Physical Chemistry C
- First-principles study of high-capacity hydrogen storage on graphene with Li atoms
- (2011) Weiwei Zhou et al. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
- Boron-tuned bonding mechanism of Li-graphene complex for reversible hydrogen storage
- (2010) Chun-Sheng Liu et al. APPLIED PHYSICS LETTERS
- 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
- Multifunctional Porous Graphene for Nanoelectronics and Hydrogen Storage: New Properties Revealed by First Principle Calculations
- (2010) Aijun Du et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- High-capacity hydrogen storage in Al-adsorbed graphene
- (2010) Z. M. Ao et al. PHYSICAL REVIEW B
- Functionalized heterofullerenes for hydrogen storage
- (2009) Qiang Sun et al. APPLIED PHYSICS LETTERS
- Chemical engineering of prehydrogenated C and BN-sheets by Li: Application in hydrogen storage
- (2009) Mohammad Khazaei et al. JOURNAL OF APPLIED PHYSICS
- Contracted Gaussian basis sets for Douglas–Kroll–Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties
- (2009) F. E. Jorge et al. JOURNAL OF CHEMICAL PHYSICS
- Hydrogen Storage by Polylithiated Molecules and Nanostructures
- (2009) Süleyman Er et al. Journal of Physical Chemistry C
- Crossover between multipole Coulomb and Kubas interactions in hydrogen adsorption on metal-graphene complexes
- (2009) Gyubong Kim et al. PHYSICAL REVIEW B
- High-capacity hydrogen storage by metallized graphene
- (2008) C. Ataca et al. APPLIED PHYSICS LETTERS
- Pillared Graphene: A New 3-D Network Nanostructure for Enhanced Hydrogen Storage
- (2008) Georgios K. Dimitrakakis et al. NANO LETTERS
- Superior Thermal Conductivity of Single-Layer Graphene
- (2008) Alexander A. Balandin et al. NANO LETTERS
- Interaction and concerted diffusion of lithium in a (5,5) carbon nanotube
- (2008) M. Khantha et al. PHYSICAL REVIEW B
- Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
- (2008) C. Lee et al. SCIENCE
- Alkali-Metal-Induced Enhancement of Hydrogen Adsorption in C60Fullerene: Anab InitioStudy
- (2007) K. R. S. Chandrakumar et al. NANO LETTERS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now