Two-dimensional metallic pentadiamond as anode material for Li/Na/K ion batteries with high performance

Functionalized Two-Dimensional Nanoporous Graphene as Efficient Global Anode Materials for Li-, Na-, K-, Mg-, and Ca-Ion Batteries

(2020) Tanveer Hussain et al.   Journal of Physical Chemistry C

Design of tetracene-based metallic 2D carbon materials for Na- and K-Ion batteries

(2020) Umer Younis et al.   APPLIED SURFACE SCIENCE

A DFT investigation of the electronic, optical, and thermoelectric properties of pentadiamond

(2020) Raphael M. Tromer et al.   CHEMICAL PHYSICS LETTERS

Boron-graphdiyne as an anode material for Li, Na, and K ion batteries with high capacities and low diffusion barriers

(2019) Imran Muhammad et al.   Journal of Renewable and Sustainable Energy

Tuning the Properties of Tetracene‐Based Nanoribbons by Fluorination and N‐Doping

(2019) Umer Younis et al.   CHEMPHYSCHEM

Net W monolayer: A high-performance electrode material for Li-ion batteries

(2018) Song Yu et al.   APPLIED PHYSICS LETTERS

Popgraphene: a new 2D planar carbon allotrope composed of 5–8–5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming

(2018) Shuaiwei Wang et al.   Journal of Materials Chemistry A

OPGs: promising anode materials with high specific capacity and rate capability for Li/Na ion batteries

(2018) Pengfei Gao et al.   Nanoscale

Planar net-τ: A new high-performance metallic carbon anode material for lithium-ion batteries

(2018) Xiao Wang et al.   CARBON

ψ-Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries

(2017) Xiaoyin Li et al.   Journal of Physical Chemistry Letters

Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS2

(2017) Abdus Samad et al.   NANOTECHNOLOGY

All-carbon-based porous topological semimetal for Li-ion battery anode material

(2017) Junyi Liu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Chemically Exfoliating Biomass into a Graphene-like Porous Active Carbon with Rational Pore Structure, Good Conductivity, and Large Surface Area for High-Performance Supercapacitors

(2017) Shi-Yu Lu et al.   Advanced Energy Materials

The curious case of two dimensional Si 2 BN: A high-capacity battery anode material

(2017) Vivekanand Shukla et al.   Nano Energy

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Theory, Implementation, and Parameters

(2016) Pavlo O. Dral et al.   Journal of Chemical Theory and Computation

Ab initio prediction of a silicene and graphene heterostructure as an anode material for Li- and Na-ion batteries

(2016) L. Shi et al.   Journal of Materials Chemistry A

Penta-graphene: A new carbon allotrope

(2015) Shunhong Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Multi-phase microstructures drive exciton dissociation in neat semicrystalline polymeric semiconductors

(2015) Francis Paquin et al.   Journal of Materials Chemistry C

Ti3C2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries

(2014) Dequan Er et al.   ACS Applied Materials & Interfaces

High lithium anodic performance of highly nitrogen-doped porous carbon prepared from a metal-organic framework

(2014) Fangcai Zheng et al.   Nature Communications

Theoretical prediction of a new two-dimensional carbon allotrope and NDR behaviour of its one-dimensional derivatives

(2013) Bikash Mandal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-dimensional carbon allotrope with strong electronic anisotropy

(2013) Cong Su et al.   PHYSICAL REVIEW B

Formation and migration energies of the vacancy in Si calculated using the HSE06 range-separated hybrid functional

(2013) Piotr Śpiewak et al.   PHYSICAL REVIEW B

Stable three-dimensional metallic carbon with interlocking hexagons

(2013) S. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Two-dimensional carbon allotropes from graphene to graphyne

(2013) Haigang Lu et al.   Journal of Materials Chemistry C

Exploring Hydrogenation and Fluorination in Curved 2D Carbon Systems: A Density Functional Theory Study on Corannulene

(2012) Renato B. dos Santos et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Lithium Storage on Graphdiyne Predicted by DFT Calculations

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

Prediction of a new two-dimensional metallic carbon allotrope

(2012) Xin-Quan Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and Electronic Properties ofTGraphene: A Two-Dimensional Carbon Allotrope with Tetrarings

(2012) Yu Liu et al.   PHYSICAL REVIEW LETTERS

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY

Creation of graphene allotropes using patterned defects

(2009) Mark T. Lusk et al.   CARBON

Negative Differential Resistance in Carbon Atomic Wire-Carbon Nanotube Junctions

(2008) Khoong Hong Khoo et al.   NANO LETTERS