Ternary transition metal chalcogenides Ti2PX2 (X = S, Se, Te) anodes for high performance metal-ion batteries: A DFT study

Achieving superior high-capacity batteries with the lightest Ti2C MXene anode by first-principles calculations: Overarching role of S-functionate (Ti 2CS2) and multivalent cations carrier

(2020) Yatong Wang et al.   JOURNAL OF POWER SOURCES

Phase-dependent performance of lotus-root shaped TiO2 anode for lithium-ion batteries (LIBs)

(2020) Sung Il Choi et al.   APPLIED SURFACE SCIENCE

Two‐Dimensional Transition Metal Chalcogenides for Alkali Metal Ions Storage

(2020) Yingxi Zhang et al.   ChemSusChem

Effect of the Ionic Radius of Alkali Metal Ions on Octacalcium Phosphate Formation via Different Substitution Modes

(2019) Yuki Sugiura et al.   CRYSTAL GROWTH & DESIGN

Theoretical Investigation of V3C2 MXene as Prospective High-Capacity Anode Material for Metal-Ion (Li, Na, K, and Ca) Batteries

(2019) Ke Fan et al.   Journal of Physical Chemistry C

Metallic Nb2S2C Monolayer: A Promising Two-Dimensional Anode Material for Metal-Ion Batteries

(2019) Yu Jing et al.   Journal of Physical Chemistry C

2 D Materials for Electrochemical Energy Storage: Design, Preparation, and Application

(2019) Huijuan Cui et al.   ChemSusChem

First-Principle Study of Li-Ion Storage of Functionalized Ti2C Monolayer with Vacancies

(2018) Qing Wan et al.   ACS Applied Materials & Interfaces

Understanding the anchoring effect of Graphene, BN, C 2 N and C 3 N 4 monolayers for lithium−polysulfides in Li−S batteries

(2018) Yanping Zheng et al.   APPLIED SURFACE SCIENCE

Three-dimensional TiO 2 nanowire@NiMoO 4 ultrathin nanosheet core-shell arrays for lithium ion batteries

(2018) Minglei Cao et al.   APPLIED SURFACE SCIENCE

The S-functionalized Ti3C2 Mxene as a high capacity electrode material for Na-ion batteries: a DFT study

(2018) Qiangqiang Meng et al.   Nanoscale

Borophene as a promising anode material for sodium-ion batteries with high capacity and high rate capability using DFT

(2018) Jianhua Liu et al.   RSC Advances

Direct transition of a HfGeTe4 ternary transition-metal chalcogenide monolayer with a zigzag van der Waals gap

(2018) Yuta Saito et al.   APL Materials

Structural, Elastic, Electronic and Optical Properties of LaOAgS-Type Silver Fluoride Chalcogenides: First-Principles Study

(2017) K. Boudiaf, A. Bouhemadou, O. Boudrifa, K. Haddadi, F. Saad Saoud et al.   JOURNAL OF ELECTRONIC MATERIALS

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

Theoretical prediction of MXene-like structured Ti3C4 as a high capacity electrode material for Na ion batteries

(2017) Qiangqiang Meng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2D metal carbides and nitrides (MXenes) for energy storage

(2017) Babak Anasori et al.   Nature Reviews Materials

Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate

(2016) Bo Xiao et al.   ACS Applied Materials & Interfaces

Manifestations of Quasi-Two-Dimensional Metallicity in a Layered Ternary Transition Metal Chalcogenide Ti2PTe2

(2016) Ji Seop Oh et al.   CHEMISTRY OF MATERIALS

Structural, elastic, electronic and thermodynamic investigations of neptunium chalcogenides: First-principles calculations

(2016) A. Benkabou et al.   CHINESE JOURNAL OF PHYSICS

Graphene-like g-C 3 N 4 nanosheets/sulfur as cathode for lithium–sulfur battery

(2016) Zhen Meng et al.   ELECTROCHIMICA ACTA

Prediction of Mobility, Enhanced Storage Capacity, and Volume Change during Sodiation on Interlayer-Expanded Functionalized Ti3C2 MXene Anode Materials for Sodium-Ion Batteries

(2016) Yang-Xin Yu   Journal of Physical Chemistry C

van der Waals Stacking-Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides

(2016) Junwei Liu et al.   NANO LETTERS

Selective and low temperature transition metal intercalation in layered tellurides

(2016) Takeshi Yajima et al.   Nature Communications

Two-dimensional hybrid nanosheets of few layered MoSe2 on reduced graphene oxide as anodes for long-cycle-life lithium-ion batteries

(2016) Zhigao Luo et al.   Journal of Materials Chemistry A

Hierarchical MoS2 tubular structures internally wired by carbon nanotubes as a highly stable anode material for lithium-ion batteries

(2016) Y. M. Chen et al.   Science Advances

Atomic-Scale Recognition of Surface Structure and Intercalation Mechanism of Ti3C2X

(2015) Xuefeng Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

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

New Horizons for Conventional Lithium Ion Battery Technology

(2014) Evan M. Erickson et al.   Journal of Physical Chemistry Letters

Ab initio characterization of layered MoS2 as anode for sodium-ion batteries

(2014) Majid Mortazavi et al.   JOURNAL OF POWER SOURCES

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

New manifold two-dimensional single-layer structures of zinc-blende compounds

(2014) Chuan-Jia Tong et al.   Journal of Materials Chemistry A

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

External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)

(2013) T. Seddik et al.   PHYSICA B-CONDENSED MATTER

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

Li−Air Rechargeable Battery Based on Metal-free Graphene Nanosheet Catalysts

(2011) Eunjoo Yoo et al.   ACS Nano

Effect of the damping function in dispersion corrected density functional theory

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

Density functional study of optical properties of beryllium chalcogenides compounds in nickel arsenide B8 structure

(2011) Y. Al-Douri et al.   PHYSICA B-CONDENSED MATTER

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Mn3O4−Graphene Hybrid as a High-Capacity Anode Material for Lithium Ion Batteries

(2010) Hailiang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Si/TiSi2Heteronanostructures as High-Capacity Anode Material for Li Ion Batteries

(2010) Sa Zhou et al.   NANO LETTERS

The Interaction of Li+with Single-Layer and Few-Layer Graphene

(2010) Elad Pollak et al.   NANO LETTERS

Chemistry and Physical Properties of the Phosphide Telluride Zr2PTe2

(2009) Kristina Tschulik et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Synthesis of the titanium phosphide telluride Ti2PTe2: A thermochemical approach

(2008) Frauke Philipp et al.   JOURNAL OF SOLID STATE CHEMISTRY

The layered metal Ti2PTe2

(2008) Frauke Philipp et al.   JOURNAL OF SOLID STATE CHEMISTRY

Building better batteries

(2008) M. Armand et al.   NATURE

Self-Supported Formation of Needlelike Co3O4 Nanotubes and Their Application as Lithium-Ion Battery Electrodes

(2007) X. W. Lou et al.   ADVANCED MATERIALS