High-capacity cathodes for magnesium lithium chlorine tri-ion batteries through chloride intercalation in layered MoS2: a computational study

From anti-perovskite to double anti-perovskite: tuning lattice chemistry to achieve super-fast Li+ transport in cubic solid lithium halogen–chalcogenides

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

Graphene intercalated in graphene-like MoS 2 : A promising cathode for rechargeable Mg batteries

(2017) Yongchang Liu et al.   JOURNAL OF POWER SOURCES

Influence of Lattice Polarizability on the Ionic Conductivity in the Lithium Superionic Argyrodites Li6PS5X (X = Cl, Br, I)

(2017) Marvin A. Kraft et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phase evolution of lithium intercalation dynamics in 2H-MoS2

(2017) Juan Xia et al.   Nanoscale

Ion sieving in graphene oxide membranes via cationic control of interlayer spacing

(2017) Liang Chen et al.   NATURE

Fast kinetics of magnesium monochloride cations in interlayer-expanded titanium disulfide for magnesium rechargeable batteries

(2017) Hyun Deog Yoo et al.   Nature Communications

A Hybrid Mg2+ /Li+ Battery Based on Interlayer-Expanded MoS2 /Graphene Cathode

(2017) Xin Fan et al.   Advanced Energy Materials

A long cycle-life and high safety Na+/Mg2+ hybrid-ion battery built by using a TiS2 derived titanium sulfide cathode

(2017) Xiaofei Bian et al.   Journal of Materials Chemistry A

Theoretical design of solid electrolytes with superb ionic conductivity: alloying effect on Li+ transportation in cubic Li6PA5X chalcogenides

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

Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors

(2016) Zhi Deng et al.   CHEMISTRY OF MATERIALS

Prussian Blue MgLi Hybrid Batteries

(2016) Xiaoqi Sun et al.   Advanced Science

First-principles calculations of lattice dynamics and thermal properties of polar solids

(2016) Yi Wang et al.   npj Computational Materials

High Areal Capacity Hybrid Magnesium–Lithium-Ion Battery with 99.9% Coulombic Efficiency for Large-Scale Energy Storage

(2015) Hyun Deog Yoo et al.   ACS Applied Materials & Interfaces

A novel rechargeable battery with a magnesium anode, a titanium dioxide cathode, and a magnesium borohydride/tetraglyme electrolyte

(2015) Shuojian Su et al.   CHEMICAL COMMUNICATIONS

Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction

(2015) John Christopher Bachman et al.   CHEMICAL REVIEWS

How General is the Conversion Reaction in Mg Battery Cathode: A Case Study of the Magnesiation of α-MnO2

(2015) Chen Ling et al.   CHEMISTRY OF MATERIALS

Cathode materials for magnesium and magnesium-ion based batteries

(2015) Matthew M. Huie et al.   COORDINATION CHEMISTRY REVIEWS

Li-ion battery materials: present and future

(2015) Naoki Nitta et al.   Materials Today

Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide

(2015) Federico Brivio et al.   PHYSICAL REVIEW B

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Interplay between Ag and interstitial Mg on the p-type characteristics of Ag-doped Mg2Si: challenges for high hole conductivity

(2015) Xiaoping Han et al.   Journal of Materials Chemistry C

High performance batteries based on hybrid magnesium and lithium chemistry

(2014) Yingwen Cheng et al.   CHEMICAL COMMUNICATIONS

Quest for Nonaqueous Multivalent Secondary Batteries: Magnesium and Beyond

(2014) John Muldoon et al.   CHEMICAL REVIEWS

Displacements, Mean-Squared Displacements, and Codisplacements for the Calculation of Nonequilibrium Properties

(2014) Mithila V. Agnihotri et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermodynamically stable lithium silicides and germanides from density functional theory calculations

(2014) Andrew J. Morris et al.   PHYSICAL REVIEW B

Mg rechargeable batteries: an on-going challenge

(2013) Hyun Deog Yoo et al.   Energy & Environmental Science

Lithium ion battery applications of molybdenum disulfide (MoS2) nanocomposites

(2013) Tyler Stephenson et al.   Energy & Environmental Science

Ab initiostudy of the stabilities of and mechanism of superionic transport in lithium-rich antiperovskites

(2013) Yi Zhang et al.   PHYSICAL REVIEW B

Limitation and extrapolation correction of the GGA + U formalism: a case study of Nb-doped anatase TiO2

(2013) Xiaoping Han et al.   Journal of Materials Chemistry C

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Red Shift in Manganese- and Iron-Doped TiO2: A DFT+U Analysis

(2009) Guosheng Shao   Journal of Physical Chemistry C

Electronic Structures of Manganese-Doped Rutile TiO2 from First Principles

(2008) G. Shao   Journal of Physical Chemistry C

Building better batteries

(2008) M. Armand et al.   NATURE

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B