DFT investigation of capacious, ultrafast and highly conductive hexagonal Cr2C and V2C monolayers as anode materials for high-performance lithium-ion batteries

Sn4+ Ion Decorated Highly Conductive Ti3C2 MXene: Promising Lithium-Ion Anodes with Enhanced Volumetric Capacity and Cyclic Performance

(2016) Jianmin Luo et al.   ACS Nano

Investigation of fluorine adsorption on nitrogen doped MgAl 2 O 4 surface by first-principles

(2016) Xiaojun Lv et al.   APPLIED SURFACE SCIENCE

First principles study of nanostructured TiS 2 electrodes for Na and Mg ion storage

(2016) S.N. Li et al.   JOURNAL OF POWER SOURCES

Understanding electrochemical potentials of cathode materials in rechargeable batteries

(2016) Chaofeng Liu et al.   Materials Today

Blockage of ultrafast and directional diffusion of Li atoms on phosphorene with intrinsic defects

(2016) Ruiqi Zhang et al.   Nanoscale

Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation

(2016) Uğur Yorulmaz et al.   NANOTECHNOLOGY

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

Half-Metallic Ferromagnetism and Surface Functionalization-Induced Metal–Insulator Transition in Graphene-like Two-Dimensional Cr2C Crystals

(2015) Chen Si et al.   ACS Applied Materials & Interfaces

Giant Phononic Anisotropy and Unusual Anharmonicity of Phosphorene: Interlayer Coupling and Strain Engineering

(2015) Yongqing Cai et al.   ADVANCED FUNCTIONAL MATERIALS

Theoretical Prediction of Anode Materials in Li-Ion Batteries on Layered Black and Blue Phosphorus

(2015) Qing-Fang Li et al.   Journal of Physical Chemistry C

Roles of Mass, Structure, and Bond Strength in the Phonon Properties and Lattice Anharmonicity of Single-Layer Mo and W Dichalcogenides

(2015) Liang-Feng Huang et al.   Journal of Physical Chemistry C

Review—Li-Rich Layered Oxide Cathodes for Next-Generation Li-Ion Batteries: Chances and Challenges

(2015) Patrick Rozier et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

A comprehensive review of Li 4 Ti 5 O 12 -based electrodes for lithium-ion batteries: The latest advancements and future perspectives

(2015) Bote Zhao et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

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

(2015) Weifeng Li et al.   NANO LETTERS

Large-area high-quality 2D ultrathin Mo2C superconducting crystals

(2015) Chuan Xu et al.   NATURE MATERIALS

Pristine and defect-containing phosphorene as promising anode materials for rechargeable Li batteries

(2015) Gen-Cai Guo et al.   Journal of Materials Chemistry A

Synthesis and Defect Investigation of Two-Dimensional Molybdenum Disulfide Atomic Layers

(2014) Sina Najmaei et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

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

(2014) Yu Xie et al.   ACS Nano

MoO2/Mo2C Heteronanotubes Function as High-Performance Li-Ion Battery Electrode

(2014) Hao-Jie Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

Occupied and unoccupied electronic structure of Na doped MoS2(0001)

(2014) Takashi Komesu et al.   APPLIED PHYSICS LETTERS

Graphdiyne and graphyne: from theoretical predictions to practical construction

(2014) Yongjun Li et al.   CHEMICAL SOCIETY REVIEWS

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

Investigations on V2C and V2CX2 (X = F, OH) Monolayer as a Promising Anode Material for Li Ion Batteries from First-Principles Calculations

(2014) Junping Hu 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

First-Principles Studies of Lithium Adsorption and Diffusion on Graphene with Grain Boundaries

(2014) Liu-Jiang Zhou et al.   Journal of Physical Chemistry C

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

A graphene-like MoS2/graphene nanocomposite as a highperformance anode for lithium ion batteries

(2014) Yongchang Liu et al.   Journal of Materials Chemistry A

Synthesis of MoS2 nanosheet–graphene nanosheet hybrid materials for stable lithium storage

(2013) Xiaosi Zhou et al.   CHEMICAL COMMUNICATIONS

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

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

First-principles study of alkali metal-graphite intercalation compounds

(2013) Kunihiro Nobuhara et al.   JOURNAL OF POWER SOURCES

Facile synthesis and electrochemical properties of two dimensional layered MoS2/graphene composite for reversible lithium storage

(2013) Xinfa Zhou et al.   JOURNAL OF POWER SOURCES

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

Synthesis of MoS2 and MoSe2 Films with Vertically Aligned Layers

(2013) Desheng Kong et al.   NANO LETTERS

Adsorption and Diffusion of Lithium on Layered Silicon for Li-Ion Storage

(2013) Georgios A. Tritsaris et al.   NANO LETTERS

Understanding electronic and optical properties of anatase TiO2 photocatalysts co-doped with nitrogen and transition metals

(2013) Qingsen Meng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthesis of MoS2–C One-Dimensional Nanostructures with Improved Lithium Storage Properties

(2012) Chaofeng Zhang et al.   ACS Applied Materials & Interfaces

Synthesis of Large-Area MoS2Atomic Layers with Chemical Vapor Deposition

(2012) Yi-Hsien Lee et al.   ADVANCED MATERIALS

Electrochemical cycling reversibility of LiMoS2 using first-principles calculations

(2012) Xiaobo Chen et al.   APPLIED PHYSICS LETTERS

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

(2012) Michael Naguib et al.   ELECTROCHEMISTRY COMMUNICATIONS

First-Principles Study of Lithium Adsorption and Diffusion on Graphene with Point Defects

(2012) Liu-Jiang Zhou et al.   Journal of Physical Chemistry C

Enhanced Li Adsorption and Diffusion on MoS2 Zigzag Nanoribbons by Edge Effects: A Computational Study

(2012) Yafei Li et al.   Journal of Physical Chemistry Letters

Structural and thermodynamic stability of Li4Ti5O12 anode material for lithium-ion battery

(2012) Ting-Feng Yi et al.   JOURNAL OF POWER SOURCES

Graphynes and graphdyines

(2012) A.L. Ivanovskii   PROGRESS IN SOLID STATE CHEMISTRY

Graphene and Graphene Oxide: Synthesis, Properties, and Applications

(2010) Yanwu Zhu et al.   ADVANCED MATERIALS

Exfoliated MoS2Nanocomposite as an Anode Material for Lithium Ion Batteries

(2010) Jie Xiao et al.   CHEMISTRY OF MATERIALS

A review of the electrochemical performance of alloy anodes for lithium-ion batteries

(2010) Wei-Jun Zhang   JOURNAL OF POWER SOURCES

Chlorine interaction with defects on the Au(111) surface: A first-principles theoretical investigation

(2008) Thomas A. Baker et al.   JOURNAL OF CHEMICAL PHYSICS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS