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eReaxFF force field development for BaZr_(0.8)Y_(0.2)O_(3-δ) solid oxide electrolysis cells applications

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摘要 The use of solid-oxide materials in electrocatalysis applications,especially in hydrogen-evolution reactions,is promising.However,further improvements are warranted to overcome the fundamental bottlenecks to enhancing the performance of solid-oxide electrolysis cells(SOECs),which is directly linked to the more-refined fundamental understanding of complex physical and chemical phenomena and mass exchanges that take place at the surfaces and in the bulk of electrocatalysis materials.
出处 《npj Computational Materials》 CSCD 2024年第1期1860-1877,共18页 计算材料学(英文)
基金 supported through the Idaho National Laboratory’s Laboratory Directed Research&Development Program under the US Department of Energy-Idaho Operations Office Contract DE-AC07-05ID14517.
关键词 MATERIALS SOLID OXIDE
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