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

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

(2017) Zhenming Xu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2016) Xiaojun Lv et al.   APPLIED SURFACE SCIENCE

Preparation of nitrogen- and phosphorous co-doped carbon microspheres and their superior performance as anode in sodium-ion batteries

(2016) Yueming Li et al.   CARBON

First-principles molecular dynamics investigation on Na3AlF6 molten salt

(2016) Xiaojun Lv et al.   JOURNAL OF FLUORINE CHEMISTRY

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

(2016) Ruiqi Zhang et al.   Nanoscale

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

(2016) Bo Peng et al.   Journal of Materials Chemistry C

Borophene: A promising anode material offering high specific capacity and high rate capability for lithium-ion batteries

(2016) H.R. Jiang et al.   Nano Energy

Recent Advances and Prospects of Cathode Materials for Sodium-Ion Batteries

(2015) Xingde Xiang et al.   ADVANCED MATERIALS

Pressure-Induced Structures and Properties in Indium Hydrides

(2015) Yunxian Liu et al.   INORGANIC CHEMISTRY

Unusual Structure and Dynamics at Silica/Methanol and Silica/Ethanol Interfaces—A Molecular Dynamics and Nonlinear Optical Study

(2015) John J. Karnes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Adsorption of Modified Arg, Lys, Asp, and Gln to Dry and Hydrated ZnO Surface: A Density Functional Theory Study

(2015) Francesco Buonocore et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Influence of B Concentration on the Structural Stability and Mechanical Properties of Nb–B Compounds

(2015) Yong Pan et al.   Journal of Physical Chemistry C

A Comparative First-Principles Study on Sodiation of Silicon, Germanium, and Tin for Sodium-Ion Batteries

(2015) Chia-Yun Chou et al.   Journal of Physical Chemistry C

Propensity of Hydrated Excess Protons and Hydroxide Anions for the Air–Water Interface

(2015) Ying-Lung Steve Tse et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2015) Weifeng Li et al.   NANO LETTERS

A first-principles study of sodium adsorption and diffusion on phosphorene

(2015) Xiao Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Effective Liquid-Phase Exfoliation and Sodium Ion Battery Application of MoS2 Nanosheets

(2014) Gyeong Sook Bang et al.   ACS Applied Materials & Interfaces

MoS2/Graphene Composite Paper for Sodium-Ion Battery Electrodes

(2014) Lamuel David et al.   ACS Nano

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

(2014) Takashi Komesu et al.   APPLIED PHYSICS LETTERS

First-principles study of fast Na diffusion in Na 3 P

(2014) Xue-fang Yu et al.   CHEMICAL PHYSICS LETTERS

Graphdiyne and graphyne: from theoretical predictions to practical construction

(2014) Yongjun Li et al.   CHEMICAL SOCIETY REVIEWS

Tritium Solubility in Li2TiO3 from First-Principles Simulations

(2014) Samuel T. Murphy   Journal of Physical Chemistry C

Study of Phase Stability and Hydride Diffusion Mechanism of BaTiO3 Oxyhydride from First-Principles

(2014) Jiajia Zhang et al.   Journal of Physical Chemistry C

First-Principles Studies of Li Nucleation on Graphene

(2014) Mingjie Liu et al.   Journal of Physical Chemistry Letters

N-doped ordered mesoporous carbon as a high performance anode material in sodium ion batteries at room temperature

(2014) Zhiguang Wang et al.   RSC Advances

Ab initio study of graphene-like monolayer molybdenum disulfide as a promising anode material for rechargeable sodium ion batteries

(2014) Jingcang Su et al.   RSC Advances

First exploration of Na-ion migration pathways in the NASICON structure Na3V2(PO4)3

(2014) Weixin Song et al.   Journal of Materials Chemistry A

Adsorption of Single Li and the Formation of Small Li Clusters on Graphene for the Anode of Lithium-Ion Batteries

(2013) Xiaofeng Fan et al.   ACS Applied Materials & Interfaces

Carbon Nanosheet Frameworks Derived from Peat Moss as High Performance Sodium Ion Battery Anodes

(2013) Jia Ding et al.   ACS Nano

Photocatalytic Properties of Graphdiyne and Graphene Modified TiO2: From Theory to Experiment

(2013) Nailiang Yang et al.   ACS Nano

An Amorphous Red Phosphorus/Carbon Composite as a Promising Anode Material for Sodium Ion Batteries

(2013) Youngjin Kim et al.   ADVANCED MATERIALS

High Capacity and Rate Capability of Amorphous Phosphorus for Sodium Ion Batteries

(2013) Jiangfeng Qian et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

SnO2@graphene nanocomposites as anode materials for Na-ion batteries with superior electrochemical performance

(2013) Dawei Su et al.   CHEMICAL COMMUNICATIONS

Room-temperature stationary sodium-ion batteries for large-scale electric energy storage

(2013) Huilin Pan et al.   Energy & Environmental Science

First-principles study of alkali metal-graphite intercalation compounds

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

Low-Potential Sodium Insertion in a NASICON-Type Structure through the Ti(III)/Ti(II) Redox Couple

(2013) P. Senguttuvan 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

Direct atomic-scale confirmation of three-phase storage mechanism in Li4Ti5O12 anodes for room-temperature sodium-ion batteries

(2013) Yang Sun et al.   Nature Communications

Intrinsic thermodynamic and kinetic properties of Sb electrodes for Li-ion and Na-ion batteries: experiment and theory

(2013) Loïc Baggetto et al.   Journal of Materials Chemistry A

Synthesis of Large-Area MoS2Atomic Layers with Chemical Vapor Deposition

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

High capacity Na-storage and superior cyclability of nanocomposite Sb/C anode for Na-ion batteries

(2012) Jiangfeng Qian et al.   CHEMICAL COMMUNICATIONS

Redox reaction of Sn-polyacrylate electrodes in aprotic Na cell

(2012) Shinichi Komaba et al.   ELECTROCHEMISTRY COMMUNICATIONS

Stability of Lithiated Silicene from First Principles

(2012) Tim H. Osborn et al.   Journal of Physical Chemistry C

Tin and graphite based nanocomposites: Potential anode for sodium ion batteries

(2012) Moni Kanchan Datta et al.   JOURNAL OF POWER SOURCES

Graphynes and graphdyines

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

Towards High Power High Energy Aqueous Sodium-Ion Batteries: The NaTi2(PO4)3/Na0.44MnO2System

(2012) Zheng Li et al.   Advanced Energy Materials

Na2Ti3O7: Lowest Voltage Ever Reported Oxide Insertion Electrode for Sodium Ion Batteries

(2011) Premkumar Senguttuvan et al.   CHEMISTRY OF MATERIALS

Room-temperature sodium-ion batteries: Improving the rate capability of carbon anode materials by templating strategies

(2011) Sebastian Wenzel et al.   Energy & Environmental Science

Amorphous TiO2 Nanotube Anode for Rechargeable Sodium Ion Batteries

(2011) Hui Xiong et al.   Journal of Physical Chemistry Letters

α-Na3M2(PO4)3(M = Ti, Fe): Absolute Cationic Ordering in NASICON-Type Phases

(2011) Houria Kabbour et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Challenges for Na-ion Negative Electrodes

(2011) V. L. Chevrier et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

From Conception to Realization: An Historial Account of Graphene and Some Perspectives for Its Future

(2010) Daniel R. Dreyer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Graphene: The New Two-Dimensional Nanomaterial

(2009) C. N. R. Rao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Na-P (Sodium-Phosphorus) System

(2009) James M. Sangster   JOURNAL OF PHASE EQUILIBRIA AND DIFFUSION

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