MXenes/graphene heterostructures for Li battery applications: a first principles study

First-Principles Calculations of Ti2N and Ti2NT2 (T = O, F, OH) Monolayers as Potential Anode Materials for Lithium-Ion Batteries and Beyond

(2017) Dashuai Wang et al.   Journal of Physical Chemistry C

The origin of low workfunctions in OH terminated MXenes

(2017) Hassan A. Tahini et al.   Nanoscale

Investigation of chloride ion adsorption onto Ti2C MXene monolayers by first-principles calculations

(2017) Dashuai Wang et al.   Journal of Materials Chemistry A

Two-dimensional heterostructures for energy storage

(2017) Ekaterina Pomerantseva et al.   Nature Energy

Transport properties of a highly conductive 2D Ti3C2Tx MXene/graphene composite

(2016) B. Aïssa et al.   APPLIED PHYSICS LETTERS

Computational characterization of lightweight multilayer MXene Li-ion battery anodes

(2016) Michael Ashton et al.   APPLIED PHYSICS LETTERS

Hybrid two-dimensional materials in rechargeable battery applications and their microscopic mechanisms

(2016) Xi Wang et al.   CHEMICAL SOCIETY REVIEWS

First principles study of a SnS2/graphene heterostructure: a promising anode material for rechargeable Na ion batteries

(2016) Abdus Samad et al.   Journal of Materials Chemistry A

Mo2C as a high capacity anode material: a first-principles study

(2016) Deniz Çakır et al.   Journal of Materials Chemistry A

Porous Two-Dimensional Transition Metal Carbide (MXene) Flakes for High-Performance Li-Ion Storage

(2016) Chang E. Ren et al.   ChemElectroChem

Structural Transformation of MXene (V2C, Cr2C, and Ta2C) with O Groups during Lithiation: A First-Principles Investigation

(2015) Dandan Sun et al.   ACS Applied Materials & Interfaces

2D Electrides as Promising Anode Materials for Na-Ion Batteries from First-Principles Study

(2015) Junping Hu et al.   ACS Applied Materials & Interfaces

Two-Dimensional Transition Metal Dichalcogenide Monolayers as Promising Sodium Ion Battery Anodes

(2015) Eunjeong Yang et al.   Journal of Physical Chemistry C

First-Principles Study of Phosphorene and Graphene Heterostructure as Anode Materials for Rechargeable Li Batteries

(2015) Gen-Cai Guo et al.   Journal of Physical Chemistry Letters

Ultrafast and Directional Diffusion of Lithium in Phosphorene for High-Performance Lithium-Ion Battery

(2015) Weifeng Li et al.   NANO LETTERS

A phosphorene–graphene hybrid material as a high-capacity anode for sodium-ion batteries

(2015) Jie Sun et al.   Nature Nanotechnology

Phosphorene as an anode material for Na-ion batteries: a first-principles study

(2015) Vadym V. Kulish et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum Monte Carlo Calculation of the Binding Energy of Bilayer Graphene

(2015) E. Mostaani et al.   PHYSICAL REVIEW LETTERS

Electronic properties and lithium storage capacities of two-dimensional transition-metal nitride monolayers

(2015) Hui Pan   Journal of Materials Chemistry A

Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries

(2014) Yu Xie et al.   ACS Nano

Theoretical Study of Li Migration in Lithium–Graphite Intercalation Compounds with Dispersion-Corrected DFT Methods

(2014) Sascha Thinius et al.   Journal of Physical Chemistry C

Role of Strain and Concentration on the Li Adsorption and Diffusion Properties on Ti2C Layer

(2014) Shijun Zhao et al.   Journal of Physical Chemistry C

Ion Intercalation into Two-Dimensional Transition-Metal Carbides: Global Screening for New High-Capacity Battery Materials

(2014) Christopher Eames et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of Surface Structure on Li-Ion Energy Storage Capacity of Two-Dimensional Transition-Metal Carbides

(2014) Yu Xie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metallic VS2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries

(2013) Yu Jing et al.   Journal of Physical Chemistry C

New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries

(2013) Michael Naguib et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

MXene: a promising transition metal carbide anode for lithium-ion batteries

(2012) Michael Naguib et al.   ELECTROCHEMISTRY COMMUNICATIONS

Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer

(2012) Qing Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2012) Eunseok Lee et al.   NANO LETTERS

Accurate and efficient algorithm for Bader charge integration

(2011) Min Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

(2010) Kristin Persson et al.   PHYSICAL REVIEW B

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

(2008) EunJoo Yoo et al.   NANO LETTERS