Mechanism of Dissolution of a Lithium Salt in an Electrolytic Solvent in a Lithium Ion Secondary Battery: A Direct Ab Initio Molecular Dynamics (AIMD) Study

Molecular Dynamics Simulations and Experimental Study of Lithium Ion Transport in Dilithium Ethylene Dicarbonate

(2013) Oleg Borodin et al.   Journal of Physical Chemistry C

Solvent Effect of Room Temperature Ionic Liquids on Electrochemical Reactions in Lithium–Sulfur Batteries

(2013) Jun-Woo Park et al.   Journal of Physical Chemistry C

Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes

(2013) Sang-Don Han et al.   Journal of Physical Chemistry C

Applicability of ionic liquid electrolytes to LaSi2/Si composite thick-film anodes in Li-ion battery

(2013) Hiroyuki Usui et al.   JOURNAL OF POWER SOURCES

Graphene in lithium ion battery cathode materials: A review

(2013) Gints Kucinskis et al.   JOURNAL OF POWER SOURCES

Comparative study of the solid electrolyte interphase on graphite in full Li-ion battery cells using X-ray photoelectron spectroscopy, secondary ion mass spectrometry, and electron microscopy

(2012) Jung Tae Lee et al.   CARBON

Li–O2 Battery Degradation by Lithium Peroxide (Li2O2): A Model Study

(2012) Reza Younesi et al.   CHEMISTRY OF MATERIALS

Theoretical Study of the Reductive Decomposition of Ethylene Sulfite: A Film-Forming Electrolyte Additive in Lithium Ion Batteries

(2012) Ermias Girma Leggesse et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Correlating Li+ Solvation Sheath Structure with Interphasial Chemistry on Graphite

(2012) Arthur von Wald Cresce et al.   Journal of Physical Chemistry C

Modern battery electrolytes: Ion–ion interactions in Li+/Na+ conductors from DFT calculations

(2012) Erlendur Jónsson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct ab initio molecular dynamics (MD) study of the ionization on a benzene dimer

(2012) Hiroto Tachikawa   RSC Advances

Entrapment of sulfur in hierarchical porous graphene for lithium–sulfur batteries with high rate performance from −40 to 60°C

(2012) Jia-Qi Huang et al.   Nano Energy

Electronic states of hydrogen atom trapped in diamond lattice

(2011) Hiroto Tachikawa   CHEMICAL PHYSICS LETTERS

Collision Induced Complex Formation following Electron Capture of SO2–H2O Complex Interacting with Argon Atoms

(2011) Hiroto Tachikawa   JOURNAL OF PHYSICAL CHEMISTRY A

Accurate Static and Dynamic Properties of Liquid Electrolytes for Li-Ion Batteries from ab initio Molecular Dynamics

(2011) P. Ganesh et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Diffusion of the Li+ Ion on C60: A DFT and Molecular Dynamics Study

(2011) Hiroto Tachikawa   Journal of Physical Chemistry C

Conduction of Li+ cations in ethylene carbonate (EC) and propylene carbonate (PC): comparative studies using density functional theory

(2011) Mahesh Datt Bhatt et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Ionization dynamics of aminopyridine dimer: a direct ab initio molecular dynamics (MD) study

(2011) Hiroto Tachikawa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionization dynamics of a water dimer: specific reaction selectivity

(2011) Hiroto Tachikawa   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interaction of Li+ ions with ethylene carbonate (EC): Density functional theory calculations

(2010) Mahesh Datt Bhatt et al.   APPLIED SURFACE SCIENCE

Partially fluorinated solvent as a co-solvent for the non-aqueous electrolyte of Li/air battery

(2010) Sheng S. Zhang et al.   JOURNAL OF POWER SOURCES

Ab Initio Molecular Dynamics Study on the Electron Capture Processes of Protonated Methane (CH5+)

(2008) Hiroto Tachikawa et al.   JOURNAL OF PHYSICAL CHEMISTRY A