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Applications of Machine Learning to the Study of Crystalline Materials

Crystals (Basel), 2022-08, Vol.12 (8), p.1070

2022

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The Development of New Perovskite-Type Oxygen Transport Membranes Using Machine Learning

Crystals (Basel), 2022-07, Vol.12 (7), p.947

2022

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Monazite-Type SmPO4 as Potential Nuclear Waste Form: Insights into Radiation Effects from Ion-Beam Irradiation and Atomistic Simulations

Materials, 2022-05, Vol.15 (10), p.3434

2022

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Promoting densification and grain growth of BaCe0.65Zr0.2Y0.15O3-δ

Journal of materials research and technology, 2023-11, Vol.27, p.3531-3538

2023

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Unraveling the Enhanced N2 Activity on CuNi Alloy Catalysts for Ammonia Production: Experiments, DFT, and Statistical Analysis

Journal of physical chemistry. C, 2024-03, Vol.128 (9), p.3703-3717

2024

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Unraveling the Enhanced N 2 Activity on CuNi Alloy Catalysts for Ammonia Production: Experiments, DFT, and Statistical Analysis

Journal of physical chemistry. C, 2024-03, Vol.128 (9), p.3703-3717

2024

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Monazite as a suitable actinide waste form

Zeitschrift für Kristallographie. Crystalline materials, 2013-03, Vol.228 (3), p.113-123

2013

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Structural characterisation of metastable Tb- and Dy-monazites

Journal of solid state chemistry, 2019-05, Vol.273, p.45-52

2019

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New insights into phosphate based materials for the immobilisation of actinides

Radiochimica acta, 2017-11, Vol.105 (11), p.961-984

2017

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Performance of DFT+U method for prediction of structural and thermodynamic parameters of monazite-type ceramics

Journal of computational chemistry, 2014-07, Vol.35 (18), p.1339-1346

2014

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Monazite-Type SmPO 4 as Potential Nuclear Waste Form: Insights into Radiation Effects from Ion-Beam Irradiation and Atomistic Simulations

Materials, 2022-05, Vol.15 (10)

2022

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From Two-Dimensional Layers to Three-Dimensional Frameworks: Expanding the Structural Diversity of Uranyl Compounds by Cation–Cation Interactions

Crystal growth & design, 2015-08, Vol.15 (8), p.3775-3784

2015

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Chemical and structural evolution in the Th-SeO3(2-)/SeO4(2-) system: from simple selenites to cluster-based selenate compounds

Inorganic chemistry, 2015-03, Vol.54 (6), p.3022-3030

2015

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Promoting densification and grain growth of BaCe0.65Zr0.2Y0.15O3

Journal of materials research and technology, 2023-11, Vol.27, p.3531-3538

2023

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Cation-Dependent Structural Evolution in A2Th(TVO4)2 (A = Li, Na, K, Rb, Cs; T = P and As) Series

Crystal growth & design, 2017-03, Vol.17 (3), p.1339-1346

2017

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Unexpected Structural Complexity in Cesium Thorium Molybdates

Crystal growth & design, 2014-05, Vol.14 (5), p.2677-2684

2014

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Cation-Dependent Structural Evolution in A 2 Th(T V O 4 ) 2 (A = Li, Na, K, Rb, Cs; T = P and As) Series

Crystal growth & design, 2017-03, Vol.17 (3), p.1339-1346

2017

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The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates

CrystEngComm, 2016-01, Vol.18 (1), p.113-122

2016

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Chemical and Structural Evolution in the Th–SeO 3 2– /SeO 4 2– System: from Simple Selenites to Cluster-Based Selenate Compounds

Inorganic chemistry, 2015-03, Vol.54 (6), p.3022-3030

2015

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Chemical and Structural Evolution in the Th-SeO sub(3) super(2-)/SeO sub(4) super(2-) System: from Simple Selenites to Cluster-Based Selenate Compounds

Inorganic chemistry, 2015-03, Vol.54 (6), p.3022-3030

2015

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Influence of extreme conditions on the formation and structures of caesium uranium(vi) arsenatesElectronic supplementary information (ESI) available: Syntheses of single crystals of Cs2[(UO2)(As2O7)] under ambient pressure and high temperature conditions, EDS measuring sample image and results, and bond-valence sums (BVS). CCDC 1429043-1429046. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5dt03842a

2015-11

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High-Temperature Phase Transitions, Spectroscopic Properties, and Dimensionality Reduction in Rubidium Thorium Molybdate Family

Inorganic chemistry, 2014-03, Vol.53 (6), p.3088-3098

2014

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Influence of extreme conditions on the formation and structures of caesium uranium(VI) arsenates

Dalton transactions : an international journal of inorganic chemistry, 2015-01, Vol.44 (47), p.20735-20744

2015

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Unexpected Structural Complexity in Cesium Thorium Molybdates

Crystal growth & design, 2014, Vol.14 (5), p.2677-2684

2014

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Highlights in Applied Mineralogy

1, 2017

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Applications of Machine Learning to the Study of Crystalline Materials

The Development of New Perovskite-Type Oxygen Transport Membranes Using Machine Learning

Monazite-Type SmPO4 as Potential Nuclear Waste Form: Insights into Radiation Effects from Ion-Beam Irradiation and Atomistic Simulations

Promoting densification and grain growth of BaCe0.65Zr0.2Y0.15O3-δ

Unraveling the Enhanced N2 Activity on CuNi Alloy Catalysts for Ammonia Production: Experiments, DFT, and Statistical Analysis

Unraveling the Enhanced N 2 Activity on CuNi Alloy Catalysts for Ammonia Production: Experiments, DFT, and Statistical Analysis

Monazite as a suitable actinide waste form

Structural characterisation of metastable Tb- and Dy-monazites

New insights into phosphate based materials for the immobilisation of actinides

Performance of DFT+U method for prediction of structural and thermodynamic parameters of monazite-type ceramics

Monazite-Type SmPO 4 as Potential Nuclear Waste Form: Insights into Radiation Effects from Ion-Beam Irradiation and Atomistic Simulations

From Two-Dimensional Layers to Three-Dimensional Frameworks: Expanding the Structural Diversity of Uranyl Compounds by Cation–Cation Interactions

Chemical and structural evolution in the Th-SeO3(2-)/SeO4(2-) system: from simple selenites to cluster-based selenate compounds

Promoting densification and grain growth of BaCe0.65Zr0.2Y0.15O3

Cation-Dependent Structural Evolution in A2Th(TVO4)2 (A = Li, Na, K, Rb, Cs; T = P and As) Series

Unexpected Structural Complexity in Cesium Thorium Molybdates

Cation-Dependent Structural Evolution in A 2 Th(T V O 4 ) 2 (A = Li, Na, K, Rb, Cs; T = P and As) Series

The structural effects of alkaline- and rare-earth element incorporation into thorium molybdates

Chemical and Structural Evolution in the Th–SeO 3 2– /SeO 4 2– System: from Simple Selenites to Cluster-Based Selenate Compounds

Chemical and Structural Evolution in the Th-SeO sub(3) super(2-)/SeO sub(4) super(2-) System: from Simple Selenites to Cluster-Based Selenate Compounds

High-Temperature Phase Transitions, Spectroscopic Properties, and Dimensionality Reduction in Rubidium Thorium Molybdate Family

Influence of extreme conditions on the formation and structures of caesium uranium(VI) arsenates

Unexpected Structural Complexity in Cesium Thorium Molybdates

Highlights in Applied Mineralogy

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