Cohesion energetics of carbon allotropes: Quantum Monte Carlo study

Multilayer Graphynes for Lithium Ion Battery Anode

(2013) Ho Jun Hwang et al.   Journal of Physical Chemistry C

Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction

(2013) Jianming Chen et al.   Journal of Physical Chemistry Letters

Quantum Monte Carlo applied to solids

(2013) Luke Shulenburger et al.   PHYSICAL REVIEW B

Thermodynamically Stable Calcium-Decorated Graphyne as a Hydrogen Storage Medium

(2012) Ho Jun Hwang et al.   Journal of Physical Chemistry C

Towards an exact description of electronic wavefunctions in real solids

(2012) George H. Booth et al.   NATURE

Diffusion quantum Monte Carlo study of the equation of state and point defects in aluminum

(2012) Randolph Q. Hood et al.   PHYSICAL REVIEW B

Graphyne: Hexagonal network of carbon with versatile Dirac cones

(2012) Bog G. Kim et al.   PHYSICAL REVIEW B

Competition for Graphene: Graphynes with Direction-Dependent Dirac Cones

(2012) Daniel Malko et al.   PHYSICAL REVIEW LETTERS

Improved hybrid functional for solids: The HSEsol functional

(2011) Laurids Schimka et al.   JOURNAL OF CHEMICAL PHYSICS

High Mobility and High Storage Capacity of Lithium in sp–sp2 Hybridized Carbon Network: The Case of Graphyne

(2011) Hongyu Zhang et al.   Journal of Physical Chemistry C

Large reversible capacity of high quality graphene sheets as an anode material for lithium-ion batteries

(2010) Peichao Lian et al.   ELECTROCHIMICA ACTA

Hydrogen adsorption on graphene: a first principles study

(2010) V. V. Ivanovskaya et al.   EUROPEAN PHYSICAL JOURNAL B

Enhanced Electrochemical Lithium Storage by Graphene Nanoribbons

(2010) Tarun Bhardwaj et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

All-Carbon Scaffolds by Rational Design

(2009) François Diederich et al.   ADVANCED MATERIALS

Graphene nanosheets for enhanced lithium storage in lithium ion batteries

(2009) Guoxiu Wang et al.   CARBON

Li Storage Properties of Disordered Graphene Nanosheets

(2009) Dengyu Pan et al.   CHEMISTRY OF MATERIALS

Electrochemical Properties of Graphene Paper Electrodes Used in Lithium Batteries

(2009) Caiyun Wang et al.   CHEMISTRY OF MATERIALS

Electrochemical performance of graphene nanosheets as anode material for lithium-ion batteries

(2009) Peng Guo et al.   ELECTROCHEMISTRY COMMUNICATIONS

Graphene-based electrode materials for rechargeable lithium batteries

(2009) Minghui Liang et al.   JOURNAL OF MATERIALS CHEMISTRY

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nature and Strength of Interlayer Binding in Graphite

(2009) Leonardo Spanu et al.   PHYSICAL REVIEW LETTERS

Graphene: Status and Prospects

(2009) A. K. Geim   SCIENCE

First principles study of the structure and stability of carbynes

(2008) Weiqi Luo et al.   CARBON

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations

(2008) M. Burkatzki et al.   JOURNAL OF CHEMICAL PHYSICS

Large Reversible Li Storage of Graphene Nanosheet Families for Use in Rechargeable Lithium Ion Batteries

(2008) EunJoo Yoo et al.   NANO LETTERS

Pseudospin magnetism in graphene

(2008) Hongki Min et al.   PHYSICAL REVIEW B

Finite-size errors in continuum quantum Monte Carlo calculations

(2008) N. D. Drummond et al.   PHYSICAL REVIEW B

Self-Passivating Edge Reconstructions of Graphene

(2008) Pekka Koskinen et al.   PHYSICAL REVIEW LETTERS

Synthesis and properties of annulenic subunits of graphyne and graphdiyne nanoarchitectures

(2008) Michael M. Haley   PURE AND APPLIED CHEMISTRY