Motivations and Battery Technology

• Affordable, practical batteries with 5x energy density of today’s Li-ion batteries are needed to ensure

that fully electrical vehicles feature a range similar to that of gasoline vehicles

• Eliminate “range anxiety”

• Allow recharging when electricity is cheap

• Reduce cycling range of battery throughout lifetime

• Provide excess capacity for V2G smart grid model (more later)

Such energy densities cannot be achieved with incremental advances of current Li-ion technology.

www.zurich.ibm.com/science-posters/

References and links:

• T. Laino, A. Curioni, Chemistry-A European Journal 18(12), 3510-3520 (2012)

• T. Laino, A. Curioni, New Journal of Physics (Materials Discovery),15, 095009 (2013)

• K. Meier, T. Laino, A. Curioni, Journal of Physical Chemistry C, 118 (13), 6668–6679 (2014)

• MARVEL: nccr-marvel.ch

Electrolyte Decomposition Revealed by Supercomputing Modeling

How a Lithium-Air Battery Works Designing Novel Electrolyte Materials

High-Energy Density Batteries:Understanding and Designing Materials

Teodoro Laino, Alessandro Curioni

Source: Huwi

courtesy of IBM ARC

Mass-spec

data shows

degradation

of propylene

carbonate

electrolyte.

PC spontaneously grafts first onto the surface

of Li2O2 and subsequently degrades in a

barrierless process.

Process is promoted

by the lithium ions

with a dual effect:

Enhancing the

polarization of the

carboxylic group and

mechanical effect

(see video, right)

Using molecular modeling we designed new

solvents with increased (+60%) stability.

Li-ion: ~250 Wh/Kg Li-air: 1000 Wh/Kg

Lit

hiu

m

Ele

ctr

oly

te