Li intercalation in graphite: A van der Waals density-functional study

Carbon Support Effects on the Hydrogen Storage Properties of LiBH4 Nanoparticles: A First-Principles Study

(2014) Ebrahim Hazrati et al.   Journal of Physical Chemistry C

Approaching the limits of transparency and conductivity in graphitic materials through lithium intercalation

(2014) Wenzhong Bao et al.   Nature Communications

In situ7Li nuclear magnetic resonance observation of the electrochemical intercalation of lithium in graphite: second cycle analysis

(2013) Frédéric Chevallier et al.   CARBON

Dispersion corrections in graphenic systems: a simple and effective model of binding

(2013) Tim Gould et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Lithium Intercalation into Graphitic Carbons Revisited: Experimental Evidence for Twisted Bilayer Behavior

(2013) A. Senyshyn et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Nature of empty states in superconducting CaC6and related Li-Ca ternary graphite intercalation compounds using polarized x-ray absorption near-edge structure at the CaKedge

(2013) D. Cabaret et al.   PHYSICAL REVIEW B

Lithium motion in the anode material LiC6as seen via time-domain7Li NMR

(2013) J. Langer et al.   PHYSICAL REVIEW B

The mechanism of caesium intercalation of graphene

(2013) M. Petrović et al.   Nature Communications

Van der Waals density functional study of the energetics of alkali metal intercalation in graphite

(2013) Zhaohui Wang et al.   RSC Advances

Improved description of soft layered materials with van der Waals density functional theory

(2012) Gabriella Graziano et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles

(2012) Eunseok Lee et al.   NANO LETTERS

Ab initiostudies of hydrogen adatoms on bilayer graphene

(2012) R. E. Mapasha et al.   PHYSICAL REVIEW B

Lithium intercalation into TiO2(B): A comparison of LDA, GGA, and GGA+Udensity functional calculations

(2012) Benjamin J. Morgan et al.   PHYSICAL REVIEW B

Systematic Pore-Size Effects of Nanoconfinement of LiBH4: Elimination of Diborane Release and Tunable Behavior for Hydrogen Storage Applications

(2011) Xiangfeng Liu et al.   CHEMISTRY OF MATERIALS

Intrinsic defects and dopants in LiNH2: a first-principles study

(2011) E. Hazrati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles study of competing mechanisms of nondilute Li diffusion in spinel LixTiS2

(2011) Jishnu Bhattacharya et al.   PHYSICAL REVIEW B

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Electronic Structure of SuperconductingKC8and NonsuperconductingLiC6Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State

(2011) Z.-H. Pan et al.   PHYSICAL REVIEW LETTERS

Reversibility of the hydrogen desorption from LiBH4: a synergetic effect of nanoconfinement and Ni addition

(2010) Peter Ngene et al.   CHEMICAL COMMUNICATIONS

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

(2010) Kristin Persson et al.   PHYSICAL REVIEW B

Comparative van der Waals density-functional study of graphene on metal surfaces

(2010) Ikutaro Hamada et al.   PHYSICAL REVIEW B

Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation

(2010) S. Lebègue et al.   PHYSICAL REVIEW LETTERS

Lithium Storage in Carbon Nanostructures

(2009) Nitin A. Kaskhedikar et al.   ADVANCED MATERIALS

Hydrogen Storage by Polylithiated Molecules and Nanostructures

(2009) Süleyman Er et al.   Journal of Physical Chemistry C

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nature and Strength of Interlayer Binding in Graphite

(2009) Leonardo Spanu et al.   PHYSICAL REVIEW LETTERS

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Phase Diagrams for Systems with Low Free Energy Variation:  A Coupled Theory/Experiments Method Applied to Li-Graphite

(2008) J.-S. Filhol et al.   Journal of Physical Chemistry C

Enhanced Hydrogen Storage Kinetics of LiBH4 in Nanoporous Carbon Scaffolds

(2008) Adam F. Gross et al.   Journal of Physical Chemistry C

First-principles calculations of the crystal structure, electronic structure, and thermodynamic stability ofBe(BH4)2

(2008) Michiel J. van Setten et al.   PHYSICAL REVIEW B