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

The roles of π electrons in the electronic structures and optical properties of graphyne

(2012) XiuJie He et al.   CHINESE SCIENCE BULLETIN

First-principles study of hydrogenated graphyne and its family: Stable configurations and electronic structures

(2012) Jie Tan et al.   DIAMOND AND RELATED MATERIALS

Isoelectronic Doping of Graphdiyne with Boron and Nitrogen: Stable Configurations and Band Gap Modification

(2012) Hongxia Bu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

High-capacity electrode material BC3for lithium batteries proposed byab initiosimulations

(2012) Alexander A. Kuzubov et al.   PHYSICAL REVIEW B

Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

(2011) Mengqiu Long et al.   ACS Nano

Graphdiyne: a versatile nanomaterial for electronics and hydrogen purification

(2011) Yan Jiao et al.   CHEMICAL COMMUNICATIONS

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

Boron-tuned bonding mechanism of Li-graphene complex for reversible hydrogen storage

(2010) Chun-Sheng Liu et al.   APPLIED PHYSICS LETTERS

Architecture of graphdiyne nanoscale films

(2010) Guoxing Li et al.   CHEMICAL COMMUNICATIONS

α-MoO3 Nanobelts: A High Performance Cathode Material for Lithium Ion Batteries

(2010) Liang Zhou et al.   Journal of Physical Chemistry C

Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene

(2010) Hiroto Tachikawa et al.   JOURNAL OF POWER SOURCES

First-principles study on the enhancement of lithium storage capacity in boron doped graphene

(2009) Xianlong Wang et al.   APPLIED PHYSICS LETTERS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

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

(2009) Peng Guo et al.   ELECTROCHEMISTRY COMMUNICATIONS

Surface structural disordering in graphite upon lithium intercalation/deintercalation

(2009) Vijay A. Sethuraman et al.   JOURNAL OF POWER SOURCES

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

(2008) EunJoo Yoo et al.   NANO LETTERS

First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound

(2008) Kazuaki Toyoura et al.   PHYSICAL REVIEW B

First-principles study of metal adatom adsorption on graphene

(2008) Kevin T. Chan et al.   PHYSICAL REVIEW B