Direct Ab Initio Simulation of the Synthesis of BaZrO 3 and the Microstructure Impacts on Proton Transport

ACS Nano 2026 Open access

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Authors: Rhys J. Bunting, Reetam Paul, Nikhil Rampal, Brandon C. Wood, Tadashi Ogitsu, Joel B. Varley, Tuan Anh Pham
DOI: 10.1021/acsnano.6c00561
Cited by: 1
References: 57

Abstract

and establishes a general protocol for predicting processing-structure-performance relationships.

Fields of Study & Subjects

Advancements in Solid Oxide Fuel Cells Nuclear materials and radiation effects Thermal Expansion and Ionic Conductivity

Publication details

Journal / source
ACS Nano
Publisher
American Chemical Society (ACS)
Volume
20
Issue
21
Pages
15181–15189
Publication date
18 May 2026
Language
EN