activity
20122026
most citedStability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration

471 citations · 3.4k across the 39 of their papers we have counts for

collaborators
Showing 2015Show all

4 papers · 1 filter

cond-mat.mtrl-sci2015★ 164 cited

Elucidating the Structure of the Magnesium Aluminum Chloride Complex electrolyte for Magnesium-ion batteries

Pieremanuele Canepa, Saivenkataraman Jayaraman, Lei Cheng +6

We present a rigorous analysis of the Magnesium Aluminum Chloro Complex (MACC) in tetrahydrofuran (THF), one of the few electrolytes that can reversibly plate and strip Mg. We use…

cond-mat.mtrl-sci2015★ 184 cited

First-principles evaluation of Multi-valent cation insertion into Orthorhombic VO

Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Rahul Malik +3

A systematic first principles evaluation of the insertion behavior of multi-valent cations in orthorhombic VO is performed. Layer spacing, voltage, phase stability, and ion…

cond-mat.mtrl-sci2015★ 147 cited

The intercalation phase diagram of Mg in VO from first principles

Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Aziz Abdellahi +3

We have investigated Mg intercalation into orthorhombic VO, one of only three cathodes known to reversibly intercalate Mg ions. By calculating the ground state MgVO…

cond-mat.mtrl-sci2015★ 126 cited

Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Non-Aqueous Electrolytes

Pieremanuele Canepa, Gopalakrishnan Sai Gautam, Rahul Malik +5

Multi-valent (MV) battery architectures based on pairing a Mg metal anode with a high-voltage ( 3 V) intercalation cathode offer a realistic design pathway toward significant…