First principles calculations of oxygen reduction reaction at fuel cell cathodes

6533b86ffe1ef96bd12cdc81

RESEARCH PRODUCT

First principles calculations of oxygen reduction reaction at fuel cell cathodes

Joachim Maier Yuri A. Mastrikov Yuri A. Mastrikov Rotraut Merkle Eugene A. Kotomin Eugene A. Kotomin

subject

Materials science Cathode materials Kinetics Ab initio Oxide Analytical chemistry 02 engineering and technology 010402 general chemistry 01 natural sciences Analytical Chemistry law.invention Oxygen reduction Reaction (ORR)chemistry.chemical_compound Surface area law Vacancy defect Electrochemistry :NATURAL SCIENCES:Physics [Research Subject Categories]Perovskites Fuel cells Perovskite (structure)Rate determining step 021001 nanoscience & nanotechnology Rate-determining step Cathode 0104 chemical sciences Polar surfaces chemistry 0210 nano-technology First principles calculations

description

This study was partly supported by M-ERA-NET project SunToChem (EK, YM). The computer resources were provided by Stuttgart Super-computing Center (Project DEFTD 12939). Authors thank E. Heifets, M. M. Kuklja, M. Arrigoni, D. Morgan, R. Evarestov, and D. Gryaznov for fruitful discussions.

year	journal	country	edition	language
2020-02-01

10.1016/j.coelec.2019.11.005 https://dspace.lu.lv/dspace/handle/7/52374

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