Ahn, Junsung Choi, Sungjun Yoon, Kyung Joong Son, Ji-Won Kim, Byung-Kook Lee, Jong-Ho Jang, Ho Won Kim, Hyoungchul 2024-01-20T00:00:43Z 2024-01-20T00:00:43Z 2021-09-03 2017-12-13 1944-8244 https://pubs.kist.re.kr/handle/201004/121924 We explored oxygen-ion transport in highly doped CeO2 through density-functional theory calculations. By applying biaxial strain to 18.75 mol % Ceo(2):Gd, we predicted the average migration-barrier energy with six different pathways, with results in good agreement with those of experiments. Additionally, we found that the migration-barrier energy could be lowered by increasing the tetrahedron volume,, including the space occupied by the oxygen vacancy. Our results indicate that the tetrahedron volume can be expanded by larger codoliants, as well as biaxial tensile strain: Thus, the combination of thin-film structure and codoping could offer a new approach to accelerate oxygen-ion transport. English American Chemical Society THIN-FILM ELECTRICAL-PROPERTIES ENERGY-CONVERSION CERIA SYSTEM CONDUCTIVITY DEPOSITION MEMBRANES SAMARIUM OXIDES ND3+ Strain-Induced Tailoring of Oxygen-Ion Transport in Highly Doped CeO2 Electrolyte: Effects of Biaxial Extrinsic and Local Lattice Strain Article 10.1021/acsami.7b13440 1 ACS Applied Materials & Interfaces, v.9, no.49, pp.42415 - 42419 ACS Applied Materials & Interfaces 9 49 42415 42419 scie scopus 000418204300002 2-s2.0-85038212605 Nanoscience & Nanotechnology Materials Science, Multidisciplinary Science & Technology - Other Topics Materials Science Article THIN-FILM ELECTRICAL-PROPERTIES ENERGY-CONVERSION CERIA SYSTEM CONDUCTIVITY DEPOSITION MEMBRANES SAMARIUM OXIDES ND3+ oxygen-ion transport strain effects solid-state ionics doped CeO2 SOFC