First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5

The Intercalation Phase Diagram of Mg in V2O5 from First-Principles

(2015) Gopalakrishnan Sai Gautam et al.   CHEMISTRY OF MATERIALS

Factors Affecting the Exfoliation of Graphite Intercalation Compounds for Graphene Synthesis

(2015) Gabin Yoon et al.   CHEMISTRY OF MATERIALS

Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations

(2015) Miao Liu et al.   Energy & Environmental Science

Role of van der Waals Forces in Thermodynamics and Kinetics of Layered Transition Metal Oxide Electrodes: Alkali and Alkaline-Earth Ion Insertion into V2O5

(2014) Javier Carrasco   Journal of Physical Chemistry C

The challenge of developing rechargeable magnesium batteries

(2014) Ivgeni Shterenberg et al.   MRS BULLETIN

The rechargeable revolution: A better battery

(2014) Richard Van Noorden   NATURE

Theoretical study on the initial stage of a magnesium battery based on a V2O5 cathode

(2014) Bo Zhou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mg rechargeable batteries: an on-going challenge

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

Electrochemical and Spectroscopic Analysis of Mg2+ Intercalation into Thin Film Electrodes of Layered Oxides: V2O5 and MoO3

(2013) Gregory Gershinsky et al.   LANGMUIR

Single-layered V2O5 a promising cathode material for rechargeable Li and Mg ion batteries: an ab initio study

(2013) Zhiguo Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries

(2012) Ying Shirley Meng et al.   ACCOUNTS OF CHEMICAL RESEARCH

Understanding Li Diffusion in Li-Intercalation Compounds

(2012) Anton Van der Ven et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electrolyte roadblocks to a magnesium rechargeable battery

(2012) John Muldoon et al.   Energy & Environmental Science

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Optimization methods for finding minimum energy paths

(2008) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS