Hybrid density functional theory modeling of Ca, Zn, and Al ion batteries using the Chevrel phase Mo6S8 cathode

The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries

(2016) M. Saubanère et al.   Energy & Environmental Science

Electrochemical Zinc-Ion Intercalation Properties and Crystal Structures of ZnMo6S8 and Zn2Mo6S8 Chevrel Phases in Aqueous Electrolytes

(2016) Munseok S. Chae et al.   INORGANIC CHEMISTRY

Theoretical investigation of Chevrel phase materials for cathodes accommodating Ca 2+ ions

(2016) Manuel Smeu et al.   JOURNAL OF POWER SOURCES

Revealing electronic structure changes in Chevrel phase cathodes upon Mg insertion using X-ray absorption spectroscopy

(2016) Liwen F. Wan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reversible Electrochemical Intercalation of Aluminum in Mo6S8

(2015) Linxiao Geng et al.   CHEMISTRY OF MATERIALS

Rechargeable Ca-Ion Batteries: A New Energy Storage System

(2015) Albert L. Lipson et al.   CHEMISTRY OF MATERIALS

Confession of a Magnesium Battery

(2015) Claudiu B. Bucur et al.   Journal of Physical Chemistry Letters

An ultrafast rechargeable aluminium-ion battery

(2015) Meng-Chang Lin et al.   NATURE

Towards a calcium-based rechargeable battery

(2015) A. Ponrouch et al.   NATURE MATERIALS

Re-examining the Chevrel phase Mo6S8 cathode for Mg intercalation from an electronic structure perspective

(2015) Florian Thöle et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Facile Synthesis of Chevrel Phase Nanocubes and Their Applications for Multivalent Energy Storage

(2014) Yingwen Cheng et al.   CHEMISTRY OF MATERIALS

The rechargeable revolution: A better battery

(2014) Richard Van Noorden   NATURE

Mg rechargeable batteries: an on-going challenge

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

Reversible anionic redox chemistry in high-capacity layered-oxide electrodes

(2013) M. Sathiya et al.   NATURE MATERIALS

Na-ion batteries, recent advances and present challenges to become low cost energy storage systems

(2012) Verónica Palomares et al.   Energy & Environmental Science

Calculating energy loss spectra of NiO: Advantages of the modified Becke-Johnson potential

(2012) Walid Hetaba et al.   PHYSICAL REVIEW B

Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

(2012) Geoffroy Hautier et al.   PHYSICAL REVIEW B

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Accurate and efficient algorithm for Bader charge integration

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

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

How to tell when a model Kohn–Sham potential is not a functional derivative

(2009) Alex P. Gaiduk et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS