Understanding carbon contamination in the proton-conducting zirconates and cerates

Abstract

We use first-principles calculations to explain why, among proton conductors, cerates are more susceptible to carbon degradation than zirconates.

Document Details

• Document Type: Pub Defense Publication
• Publication Date: Jan 01, 2021
• Source ID: 10.1039/d1cp01902c

Entities

People

• Andrew Rowberg
• Chris G. Van de Walle
• Michael Swift

Organizations

• Division of Computer and Network Systems
• Division of Materials Research
• National Science Foundation
• Office of Science
• United States Army
• United States Naval Research Laboratory
• University of California
• Washington University in St. Louis