Unveiling the oxygen-mediated hopping and defect effects of H+ in monoclinic ZrO2: A DFT+KMC study

Tun Chen, Zhipeng Sun, Min Li, Jiechao Cui, Wen Chen, Baoqin Fu, Qing Hou

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DOI: 10.1063/5.0347468
Published: 2026-09-22
Container: The Journal of Chemical Physics
Publisher: AIP Publishing
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1063/5.0347468,
  title = {Unveiling the oxygen-mediated hopping and defect effects of H+ in monoclinic ZrO2: A DFT+KMC study},
  author = {Tun Chen and Zhipeng Sun and Min Li and Jiechao Cui and Wen Chen and Baoqin Fu and Qing Hou},
  year = {2026},
  journal = {The Journal of Chemical Physics},
  doi = {10.1063/5.0347468},
  url = {https://doi.org/10.1063/5.0347468}
}

RIS

TY  - JOUR
TI  - Unveiling the oxygen-mediated hopping and defect effects of H+ in monoclinic ZrO2: A DFT+KMC study
AU  - Tun Chen
AU  - Zhipeng Sun
AU  - Min Li
AU  - Jiechao Cui
AU  - Wen Chen
AU  - Baoqin Fu
AU  - Qing Hou
PY  - 2026
JO  - The Journal of Chemical Physics
DO  - 10.1063/5.0347468
UR  - https://doi.org/10.1063/5.0347468
ER  -

APA

Chen, T., Sun, Z., Li, M., Cui, J., Chen, W., Fu, B., & Hou, Q. (2026). Unveiling the oxygen-mediated hopping and defect effects of H+ in monoclinic ZrO2: A DFT+KMC study. The Journal of Chemical Physics. https://doi.org/10.1063/5.0347468

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crossref · retrieved 2026-09-24T23:24:59.976Z