标题
First-principles study of the stability of calcium-decorated carbon nanostructures
作者
关键词
-
出版物
PHYSICAL REVIEW B
Volume 82, Issue 15, Pages -
出版商
American Physical Society (APS)
发表日期
2010-10-29
DOI
10.1103/physrevb.82.155454
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage
- (2010) Hoonkyung Lee et al. NANO LETTERS
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- (2010) Youhwa Ohk et al. PHYSICAL REVIEW LETTERS
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- (2010) Claudio Cazorla THIN SOLID FILMS
- Ab initio design of Ca-decorated organic frameworks for high capacity molecular hydrogen storage with enhanced binding
- (2009) Y. Y. Sun et al. APPLIED PHYSICS LETTERS
- Effect of vacancy defects in graphene on metal anchoring and hydrogen adsorption
- (2009) Gyubong Kim et al. APPLIED PHYSICS LETTERS
- Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term
- (2009) C. Feng et al. JOURNAL OF CHEMICAL PHYSICS
- The water-benzene interaction: Insight from electronic structure theories
- (2009) Jie Ma et al. JOURNAL OF CHEMICAL PHYSICS
- On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations
- (2009) Kevin E. Riley et al. Journal of Chemical Theory and Computation
- Effect of hydrogenation on structure and superconducting properties of CaC6
- (2009) G. Srinivas et al. JOURNAL OF MATERIALS CHEMISTRY
- Stable calcium adsorbates on carbon nanostructures: Applications for high-capacity hydrogen storage
- (2009) Xiaobao Yang et al. PHYSICAL REVIEW B
- Ab initiocalculations predicting the existence of an oxidized calcium dihydrogen complex to store molecular hydrogen in densities up to 100 g/L
- (2009) Yong-Hyun Kim et al. PHYSICAL REVIEW B
- Calcium-decorated carbon nanotubes for high-capacity hydrogen storage: First-principles calculations
- (2009) Hoonkyung Lee et al. PHYSICAL REVIEW B
- High-pressure phases, vibrational properties, and electronic structure ofNe(He)2andAr(He)2: A first-principles study
- (2009) C. Cazorla 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
- He4on a Single Graphene Sheet
- (2009) M. C. Gordillo et al. PHYSICAL REVIEW LETTERS
- Inaccuracy of Density Functional Theory Calculations for Dihydrogen Binding Energetics onto Ca Cation Centers
- (2009) Janghwan Cha et al. PHYSICAL REVIEW LETTERS
- Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane
- (2009) D. C. Elias et al. SCIENCE
- Density functional theory simulations of complex hydride and carbon-based hydrogen storage materials
- (2008) S. A. Shevlin et al. CHEMICAL SOCIETY REVIEWS
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- (2008) S. A. Shevlin et al. Journal of Physical Chemistry C
- Theoretical investigation of hydrogen storage in metal-intercalated graphitic materials
- (2008) Manuel Cobian et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Zero-temperature generalized phase diagram of the4dtransition metals under pressure
- (2008) C. Cazorla 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
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