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High-throughput computational design of cathode coatings for Li-ion batteries

Description:

Cathode degradation is a key factor that limits the lifetime of Li-ion batteries. To identify functional coatings that can suppress this degradation, we present a high-throughput density functional theory based framework which consists of reaction models that describe thermodynamic and electrochemical stabilities, and acid-scavenging capabilities of materials. Screening more than...

Keyword:

electronic structure and batteries

Creator:

Murathan Aykol, C. Wolverson, David Snydacker, Dane Morgan, Soo Kim, Zhi Lu, Shiqiang Hao, Scott Kirklin, and Vinay I. Hedge

Owner:

Chris Diaz

Publisher:

Spinger Nature

Date Uploaded:

05/08/2017

Date Modified:

05/08/2017

Date Created:

2016-12-14

Resource Type:

Article
Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe

Description:

The broad-based implementation of thermoelectric materials in converting heat to electricity hinges on the achievement of high conversion efficiency. Here we demonstrate a thermoelectric figure of merit ZT of 2.5 at 923 K by the cumulative integration of several performance-enhancing concepts in a single material system. Using non-equilibrium processing we show...

Keyword:

Inorganic chemistry, Thermoelectrics, and Electronic properties and materials

Creator:

Gangjian Tan, Hang Chi, Chris Wolverton, Li-Dong Zhao, Ctirad Uher, Fengyuan Shi, Shiqiang Hao, Xiaomi Zhang, Mercouri G. Kanatzidis, and Vinayak P. Dravid

Owner:

Chris Diaz

Publisher:

Springer Nature

Date Uploaded:

05/08/2017

Date Modified:

05/08/2017

Date Created:

2016-07-07

Resource Type:

Article

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High-throughput computational design of cathode coatings for Li-ion batteries

Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe

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