The role of surfaces, chemical interfaces, and disorder on plutonium incorporation in pyrochlores

Romain Perriot, Pratik P. Dholabhai and Blas P. Uberuaga

Phys. Chem. Chem. Phys., 2016, 18, 22852
DOI: 10.1039/C6CP03543D

Short range order in disordered spinels and the impact on cation vacancy transport

Peter Hatton and Blas Pedro Uberuaga

J. Mater. Chem. A, 2023, 11, 3471
DOI: 10.1039/D2TA06102C

Mixed ionic-electronic conductivity and thermochemical expansion of Ca and Mo co-substituted pyrochlore-type Gd2Ti2O7

Kiryl Zakharchuk, Ekaterina Kravchenko, Duncan P. Fagg, Jorge R. Frade and Aleksey A. Yaremchenko

RSC Adv., 2016, 6, 70186
DOI: 10.1039/C6RA14600G

Controlled synthesis of pyrochlore Pr2Sn2O7 nanospheres with enhanced gas sensing performance

Qi Liu, Miao Xu, Ze-Xian Low, Wen Zhang, Feng Tao, Feng Liu and Ning Liu

RSC Adv., 2016, 6, 21564
DOI: 10.1039/C5RA26028K

Massively enhanced ionic transport in irradiated crystalline pyrochlore

Cortney R. Kreller, James A. Valdez, Terry G. Holesinger, Jonathan Morgan, Yongqiang Wang, Ming Tang, Fernando H. Garzon, Rangachary Mukundan, Eric L. Brosha and Blas P. Uberuaga

J. Mater. Chem. A, 2019, 7, 3917
DOI: 10.1039/C8TA10967B

Atomic controllable anchoring of uranium into zirconate pyrochlore with ultrahigh loading capacity

Jian Sun, Jing Zhou, Lili Li, Zhiwei Hu, Ting-Shan Chan, Tonya Vitova, Sanzhao Song, Renduo Liu, Chao Jing, Haisheng Yu, Ming Zhang, Joerg Rothe, Jian-Qiang Wang and Linjuan Zhang

Chem. Commun., 2022, 58, 3469
DOI: 10.1039/D2CC00576J

The impact of chemical order on defect transport in mixed pyrochlores

Blas P. Uberuaga, Romain Perriot and Ghanshyam Pilania

Phys. Chem. Chem. Phys., 2019, 21, 5956
DOI: 10.1039/C8CP07597B

Insights into dynamic processes of cations in pyrochlores and other complex oxides

Blas Pedro Uberuaga and Romain Perriot

Phys. Chem. Chem. Phys., 2015, 17, 24215
DOI: 10.1039/C5CP03372A

Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores

Romain Perriot, Pratik P. Dholabhai and Blas P. Uberuaga

Nanoscale, 2017, 9, 6826
DOI: 10.1039/C7NR01373F

Probing local site disorder in zirconate pyrochlores

Fengai Zhao, Shuanglin Hu, Canhui Xu, Haiyan Xiao, Xiaosong Zhou, Xiaotao Zu and Shuming Peng

Ceramics International, 2023, 49, 18432
DOI: 10.1016/j.ceramint.2023.02.215

Synthesis and characterization of dense Gd2Ti2O7 pyrochlore thin films deposited using RF magnetron sputtering

Cortney R. Kreller, James A. Valdez, Terry G. Holesinger, Rangachary Mukundan, Eric L. Brosha, Todd Williamson, Yong Q. Wang and Blas P. Uberuaga

Solid State Ionics, 2018, 314, 36
DOI: 10.1016/j.ssi.2017.10.009

Effect of Cation Ordering on Oxygen Vacancy Diffusion Pathways in Double Perovskites

Blas Pedro Uberuaga and Ghanshyam Pilania

Chem. Mater., 2015, 27, 5020
DOI: 10.1021/acs.chemmater.5b01474

A review on catalyst development for dry reforming of methane to syngas: Recent advances

Abdulrahman Abdulrasheed, Aishah Abdul Jalil, Yahya Gambo, Maryam Ibrahim, Hambali Umar Hambali and Muhamed Yusuf Shahul Hamid

Renewable and Sustainable Energy Reviews, 2019, 108, 175
DOI: 10.1016/j.rser.2019.03.054

Probing Long- and Short-Range Disorder in Y2Ti2–xHfxO7 by Diffraction and Spectroscopy Techniques

Zhaoming Zhang, Maxim Avdeev, Massey de los Reyes, Gregory R. Lumpkin, Brendan J. Kennedy, Peter E. R. Blanchard, Samuel Liu, Anton Tadich and Bruce C. C. Cowie

J. Phys. Chem. C, 2016, 120, 26465
DOI: 10.1021/acs.jpcc.6b07076

Anion ordering enables fast H − conduction at low temperatures

Hiroki Ubukata, Fumitaka Takeiri, Kazuki Shitara, Cédric Tassel, Takashi Saito, Takashi Kamiyama, Thibault Broux, Akihide Kuwabara, Genki Kobayashi and Hiroshi Kageyama

Sci. Adv., 2021, 7
DOI: 10.1126/sciadv.abf7883

Decoding ionic conductivity and reordering in cation-disordered pyrochlores

Ajay Annamareddy and Jacob Eapen

Phil. Trans. R. Soc. A., 2021, 379
DOI: 10.1098/rsta.2019.0452

Energetics of defects formation and oxygen migration in pyrochlore compounds from first principles calculations

Yan Li and Piotr M. Kowalski

Journal of Nuclear Materials, 2018, 505, 255
DOI: 10.1016/j.jnucmat.2017.11.005

Oxide Ion and Proton Conductivity in Highly Oxygen-Deficient Cubic Perovskite SrSc0.3Zn0.2Ga0.5O2.4

Chloe A. Fuller, Quentin Berrod, Bernhard Frick, Mark R. Johnson, Maxim Avdeev, John S. O. Evans and Ivana Radosavljevic Evans

Chem. Mater., 2020, 32, 4347
DOI: 10.1021/acs.chemmater.0c01378

Strain engineered pyrochlore at high pressure

Dylan R. Rittman, Katlyn M. Turner, Sulgiye Park, Antonio F. Fuentes, Changyong Park, Rodney C. Ewing and Wendy L. Mao

Sci Rep, 2017, 7
DOI: 10.1038/s41598-017-02637-9

Ion Structure Transition Enhances Charging Dynamics in Subnanometer Pores

Tangming Mo, Sheng Bi, Yuan Zhang, Volker Presser, Xuehang Wang, Yury Gogotsi and Guang Feng

ACS Nano, 2020, 14, 2395
DOI: 10.1021/acsnano.9b09648

DFT and ab-initio molecular dynamics of pyrochlore surface dissolution in aqueous media – Effect of cleavage plane and surface atomic vacancies

Abolfazl Alizadeh Sahraei and Faïçal Larachi

Applied Surface Science, 2023, 615, 156425
DOI: 10.1016/j.apsusc.2023.156425

Forging Fast Ion Conducting Nanochannels with Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure

Ritesh Sachan, Valentino R. Cooper, Bin Liu, Dilpuneet S. Aidhy, Brian K. Voas, Maik Lang, Xin Ou, Christina Trautmann, Yanwen Zhang, Matthew F. Chisholm and William J. Weber

J. Phys. Chem. C, 2017, 121, 975
DOI: 10.1021/acs.jpcc.6b12522

Explainable machine learning for oxygen diffusion in perovskites and pyrochlores

Grace M. Lu and Dallas R. Trinkle

Phys. Rev. Materials, 2025, 9
DOI: 10.1103/k947-srvp

In-situ re-crystallization of heavily-irradiated Gd2Ti2O7

Matthew T. Janish, Matthew M. Schneider, James A. Valdez, Kenneth J. McClellan, Darrin D. Byler, Yongqiang Wang, Di Chen, Terry G. Holesinger and Blas P. Uberuaga

Acta Materialia, 2020, 194, 403
DOI: 10.1016/j.actamat.2020.04.026

Effect of Long- and Short-Range Disorder on the Oxygen Ionic Conductivity of Tm2(Ti2–xTmx)O7–x/2 “Stuffed” Pyrochlores

Bryce G. Mullens, Zhaoming Zhang, Maxim Avdeev, Helen E. A. Brand, Bruce C. C. Cowie, Matilde Saura Múzquiz and Brendan J. Kennedy

Inorg. Chem., 2021, 60, 4517
DOI: 10.1021/acs.inorgchem.0c03363

The role of cation ordering and disordering on mass transport in complex oxides

Cortney R. Kreller and Blas P. Uberuaga

Current Opinion in Solid State and Materials Science, 2021, 25, 100899
DOI: 10.1016/j.cossms.2021.100899

Fluorite to pyrochlore phase transformation in nanocrystalline Nd2Zr2O7

Chitrarasu Kaliyaperumal, Amirthapandian Sankarakumar, Jegadeesan Palanisamy and Thangadurai Paramasivam

Materials Letters, 2018, 228, 493
DOI: 10.1016/j.matlet.2018.06.087

Evidence for percolation diffusion of cations and reordering in disordered pyrochlore from accelerated molecular dynamics

Romain Perriot, Blas P. Uberuaga, Richard J. Zamora, Danny Perez and Arthur F. Voter

Nat Commun, 2017, 8
DOI: 10.1038/s41467-017-00708-z

High coking resistance of Ni/A2Ti2O7 catalysts via modulating the A site of A2Ti2O7 (A = La, Gd) for dry reforming of methane

Zheng Liu, Lu-Yang Qiao, Zhang-Feng Zhou, Shan-Shan Zong, Xin-Yi Cao, Jian-Kai Cheng and Yuan-Gen Yao

Fuel, 2024, 368, 131639
DOI: 10.1016/j.fuel.2024.131639

Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7

Dilpuneet S. Aidhy, Ritesh Sachan, Eva Zarkadoula, Olli Pakarinen, Matthew F. Chisholm, Yanwen Zhang and William J. Weber

Sci Rep, 2015, 5
DOI: 10.1038/srep16297

Interfacial Cation Mixing and Microstructural Changes in Bilayer GTO/GZO Thin Films After Irradiation

B. K. Derby, Y. Sharma, J. A. Valdez, M. Chancey, Y. Q. Wang, E. L. Brosha, D. J. Williams, M. M. Schneider, A. Chen, B. P. Uberuaga, C. R. Kreller and M. T. Janish

JOM, 2022, 74, 4015
DOI: 10.1007/s11837-022-05402-0

Temperature dependence of the radiation tolerance of nanocrystalline pyrochlores A2Ti2O7 (A = Gd, Ho and Lu)

J. Wen, C. Sun, P.P. Dholabhai, Y. Xia, M. Tang, D. Chen, D.Y. Yang, Y.H. Li, B.P. Uberuaga and Y.Q. Wang

Acta Materialia, 2016, 110, 175
DOI: 10.1016/j.actamat.2016.03.025

Atomic-Scale Structure and Stability of the Low-Index Surfaces of Pyrochlore Oxides

Pratik P. Dholabhai, Romain Perriot and Blas P. Uberuaga

J. Phys. Chem. C, 2016, 120, 10485
DOI: 10.1021/acs.jpcc.6b02847

Controllable synthesis of bifunctional material Ca2Ti2O6:Eu3+ and its comparative study on luminescence and photocatalytic properties with CaTiO3:Eu3+

Yulu Wang, Benfu Qian, Qianran Zhao, Tianzheng Duan, Funa Xie, Haifeng Zou, Yanhua Song, Xiuqing Zhou and Ye Sheng

Ceramics International, 2022, 48, 17157
DOI: 10.1016/j.ceramint.2022.02.272

Advanced characterization technique for mechanochemically synthesized materials: neutron total scattering analysis

Eric C. O’Quinn, Jessica L. Bishop, Roman Sherrod, Joerg Neuefeind, Sagrario M. Montemayor, Antonio F. Fuentes and Maik Lang

J Mater Sci, 2018, 53, 13400
DOI: 10.1007/s10853-018-2212-9

Pyrochlore-type lanthanide titanates and zirconates: Synthesis, structural peculiarities, and properties

Antonio F. Fuentes, Eric C. O'Quinn, Sagrario M. Montemayor, Haidong Zhou, Maik Lang and Rodney C. Ewing

Applied Physics Reviews, 2024, 11
DOI: 10.1063/5.0192415

One Stone, Two Birds: Using High Electric Fields to Enhance the Mobility and the Concentration of Point Defects in Ion-Conducting Solids

Dennis Kemp and Roger A. De Souza

J. Am. Chem. Soc., 2024, 146, 4783
DOI: 10.1021/jacs.3c12843