scholarly journals Density functional theory calculations for cathode materials of proton-conducting solid oxide fuel cells: A mini-review

2021 ◽  
pp. 107072
Author(s):  
Zhiruo Tao ◽  
Xi Xu ◽  
Lei Bi
Keyword(s):  
Density Functional Theory ◽  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Cathode Materials ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Functional Theory ◽  
Proton Conducting

Modeling basic components of solid oxide fuel cells using density functional theory: Bulk and surface properties of CeO2

2012 ◽  
Vol 606 (3-4) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Désaunay ◽  
Armelle Ringuedé ◽  
Michel Cassir ◽  
Frédéric Labat ◽  
Carlo Adamo
Keyword(s):  
Density Functional Theory ◽  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Surface Properties ◽  
Density Functional ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Functional Theory

scholarly journals Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells

2018 ◽  
Vol 20 (45) ◽  
pp. 28685-28698 ◽  
Author(s):  
Albert Aniagyei ◽  
Nelson Y. Dzade ◽  
Richard Tia ◽  
Evans Adei ◽  
C. R. A. Catlow ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Ab Initio ◽  
Density Functional ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Functional Theory ◽  
Reduction Reactions ◽  
O2 Adsorption

We present a Hubbard-corrected density functional theory (DFT+U) study of the adsorption and reduction reactions of oxygen on the pure and 25% Ca-doped LaMnO3 (LCM25) {100} and {110} surfaces.

A Review on Cathode Materials for Conventional and Proton-conducting Solid Oxide Fuel Cells

2021 ◽  
pp. 162458
Author(s):  
Nur Nadhihah Mohd Tahir ◽  
Nurul Akidah Baharuddin ◽  
Abdullah Abdul Samat ◽  
Nafisah Osman ◽  
Mahendra Rao Somalu
Keyword(s):  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Cathode Materials ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Proton Conducting

Novel triple-phase composite cathode materials for proton-conducting solid oxide fuel cells

2012 ◽  
Vol 206 ◽  
pp. 47-52 ◽  
Author(s):  
Qiumei Jiang ◽  
Jigui Cheng ◽  
Rui Wang ◽  
Yumeng Fan ◽  
Jianfeng Gao
Keyword(s):  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Cathode Materials ◽  
Composite Cathode ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Proton Conducting

Controlling surface cation segregation in a nanostructured double perovskite GdBaCo2O5+δ electrode for solid oxide fuel cells

Nanoscale ◽  
2019 ◽  
Vol 11 (44) ◽  
pp. 21404-21418 ◽  
Author(s):  
Uzma Anjum ◽  
Manish Agarwal ◽  
Tuhin Suvra Khan ◽  
Prateek Prateek ◽  
Raju Kumar Gupta ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Solid Oxide Fuel Cells ◽  
Density Functional ◽  
Molecular Level ◽  
Double Perovskite ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Mechanistic Studies ◽  
Functional Theory

Mechanistic studies, utilizing molecular dynamics (MD) and density functional theory (DFT) calculations, were undertaken to provide a molecular level explanation of Ba cation segregation in double perovskite GdBaCo2O5+δ (GBCO) electrodes.

Cathode materials for proton-conducting solid oxide fuel cells

2020 ◽  
pp. 263-314
Author(s):  
Daoming Huan ◽  
Nai Shi ◽  
Yun Xie ◽  
Xinyu Li ◽  
Wanhua Wang ◽  
...  
Keyword(s):  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Cathode Materials ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Proton Conducting

Compatibility of La26O27(BO3)8 electrolyte with standard cathode materials for use in proton conducting solid oxide fuel cells

2011 ◽  
Vol 196 (18) ◽  
pp. 7435-7441 ◽  
Author(s):  
K.V. Kravchyk ◽  
E. Quarez ◽  
M. Caldes ◽  
A. Le Gal La Salle ◽  
O. Joubert
Keyword(s):  
Fuel Cells ◽  
Solid Oxide Fuel Cells ◽  
Cathode Materials ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Proton Conducting
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