Widely tunable band gaps of graphdiyne: an ab initio study

Cohesion energetics of carbon allotropes: Quantum Monte Carlo study

(2014) Hyeondeok Shin et al.   JOURNAL OF CHEMICAL PHYSICS

Tailoring the Electronic Band Gap of Graphyne

(2014) Jahyun Koo et al.   Journal of Physical Chemistry C

Graphdiyne as a high-capacity lithium ion battery anode material

(2013) Byungryul Jang et al.   APPLIED PHYSICS LETTERS

Tunable double Dirac cone spectrum in bilayer α-graphyne

(2013) O. Leenaerts et al.   APPLIED PHYSICS LETTERS

A molecular dynamics investigation on mechanical properties of hydrogenated graphynes

(2013) Ying-Yan Zhang et al.   JOURNAL OF APPLIED PHYSICS

Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability

(2013) Hongyu Zhang et al.   JOURNAL OF APPLIED PHYSICS

Exotic Geometrical and Electronic Properties in Hydrogenated Graphyne

(2013) Jahyun Koo et al.   Journal of Physical Chemistry C

Multilayer Graphynes for Lithium Ion Battery Anode

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

Electronic and optical properties of fluorinated graphene: A many-body perturbation theory study

(2013) Wei Wei et al.   PHYSICAL REVIEW B

Carbon Dioxide Separation with a Two-Dimensional Polymer Membrane

(2012) Joshua Schrier   ACS Applied Materials & Interfaces

Mechanical properties of graphyne and its family – A molecular dynamics investigation

(2012) Yulin Yang et al.   COMPUTATIONAL MATERIALS SCIENCE

Band gaps and structural properties of graphene halides and their derivates: A hybrid functional study with localized orbital basis sets

(2012) František Karlický et al.   JOURNAL OF CHEMICAL PHYSICS

Thermodynamically Stable Calcium-Decorated Graphyne as a Hydrogen Storage Medium

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

Remarkable Hydrogen Storage Capacity In Li-Decorated Graphyne: Theoretical Predication

(2012) Yanhua Guo et al.   Journal of Physical Chemistry C

Computational Prediction of New Hydrocarbon Materials: The Hydrogenated Forms of Graphdiyne

(2012) George M. Psofogiannakis et al.   Journal of Physical Chemistry C

Lithium Storage on Graphdiyne Predicted by DFT Calculations

(2012) Chenghua Sun et al.   Journal of Physical Chemistry C

Quasiparticle energy and optical excitations of gated bilayer graphene

(2012) Yufeng Liang et al.   PHYSICAL REVIEW B

Stability of hydrogenation states of graphene and conditions for hydrogen spillover

(2012) Sang Soo Han 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

Fluorographene: A Wide Bandgap Semiconductor with Ultraviolet Luminescence

(2011) Ki-Joon Jeon et al.   ACS Nano

Graphyne- and graphdiyne-based nanoribbons: Density functional theory calculations of electronic structures

(2011) L. D. Pan et al.   APPLIED PHYSICS LETTERS

High Capacity Hydrogen Storage in Ca Decorated Graphyne: A First-Principles Study

(2011) Chong Li et al.   Journal of Physical Chemistry C

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

Quasiparticle energies and excitonic effects of the two-dimensional carbon allotrope graphdiyne: Theory and experiment

(2011) Guangfu Luo et al.   PHYSICAL REVIEW B

Architecture of graphdiyne nanoscale films

(2010) Guoxing Li et al.   CHEMICAL COMMUNICATIONS

Bandgap opening in graphene induced by patterned hydrogen adsorption

(2010) Richard Balog et al.   NATURE MATERIALS

The era of carbon allotropes

(2010) Andreas Hirsch   NATURE MATERIALS

First-principles investigation of graphene fluoride and graphane

(2010) O. Leenaerts et al.   PHYSICAL REVIEW B

Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane

(2010) Pierluigi Cudazzo et al.   PHYSICAL REVIEW LETTERS

A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene

(2009) Q.X. Pei et al.   CARBON

“Narrow” Graphene Nanoribbons Made Easier by Partial Hydrogenation

(2009) Hongjun Xiang et al.   NANO LETTERS