Understanding the specific heat enhancement in metal-containing nanofluids for thermal energy storage: experimental and ab initio evidence for a strong interfacial layering effect I Carrillo-Berdugo, SD Midgley, R Grau-Crespo, D Zorrilla, J Navas ACS Applied Energy Materials 3 (9), 9246-9256, 2020 | 22 | 2020 |
Novel WS2-Based Nanofluids for Concentrating Solar Power: Performance Characterization and Molecular-Level Insights P Martinez-Merino, SD Midgley, EI Martin, P Estelle, R Alcantara, ... ACS applied materials & interfaces 12 (5), 5793-5804, 2020 | 22 | 2020 |
Molybdenum and sulfur incorporation as oxyanion substitutional impurities in calcium carbonate minerals: A computational investigation SD Midgley, JO Taylor, D Fleitmann, R Grau-Crespo Chemical Geology 553, 119796, 2020 | 12 | 2020 |
Bandgap engineering in the configurational space of solid solutions via machine learning:(Mg, Zn) O case study SD Midgley, S Hamad, KT Butler, R Grau-Crespo The Journal of Physical Chemistry Letters 12 (21), 5163-5168, 2021 | 11 | 2021 |
Supramolecular complexation between chain-folding poly (ester-imide) s and polycyclic aromatics: a fractal-based pattern of NMR ring-current shielding M Knappert, T Jin, SD Midgley, G Wu, OA Scherman, R Grau-Crespo, ... Polymer Chemistry 10 (48), 6641-6650, 2019 | 8 | 2019 |
Single-site binding of pyrene to poly (ester-imide) s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model M Knappert, T Jin, SD Midgley, G Wu, OA Scherman, R Grau-Crespo, ... Chemical science 11 (44), 12165-12177, 2020 | 7 | 2020 |
Bromate incorporation in calcite and aragonite SD Midgley, D Fleitmann, R Grau-Crespo Geochimica et Cosmochimica Acta 324, 17-25, 2022 | 6 | 2022 |
Mixed-anion mixed-cation perovskite (FAPbI 3) 0.875 (MAPbBr 3) 0.125: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... Journal of Materials Chemistry A 10 (17), 9592-9603, 2022 | 6 | 2022 |
Sulfate and molybdate incorporation at the calcite–water interface: insights from ab initio molecular dynamics SD Midgley, D Di Tommaso, D Fleitmann, R Grau-Crespo ACS Earth and Space Chemistry 5 (8), 2066-2073, 2021 | 5 | 2021 |
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3) 0.875 (MAPbBr3) 0.125: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... Repositorio de datos de investigación de la Universidad de Chile, 2021 | 4 | 2021 |
Understanding x-ray photoelectron spectra of ionic liquids: Experiments and simulations of 1-butyl-3-methylimidazolium thiocyanate E Gousseva, SD Midgley, JM Seymour, R Seidel, R Grau-Crespo, ... The Journal of Physical Chemistry B 126 (49), 10500-10509, 2022 | 3 | 2022 |
Sulphur and Molybdenum Incorporation at the Calcite-Water Interface: Insights from Ab Initio Molecular Dynamics SD Midgley, D Di Tommaso, D Fleitmann, R Grau-Crespo | 1 | 2021 |
Adaptive Lambda Scheduling: A method for computational efficiency in Free Energy Perturbation simulations S Midgley, S Bariami, M Habgood, M Mackey | | 2024 |
Mixed-anion mixed-cation perovskite (FAPbI₃) ₀ꓸ₈₇₅ (MAPbBr₃) ₀ꓸ₁₂₅: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... American Chemical Society, 2022 | | 2022 |
Mixed-anion mixed-cation perovskite (FAPbI₃) ₀. ₈₇₅ (MAPbBr₃) ₀. ₁₂₅: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... | | 2022 |
Trace element incorporation in stalagmite calcite as a paleo-volcanic record: a chemical perspective SD Midgley University of Reading, 2021 | | 2021 |
2D-WS2 nanofluids as heat transfer fluid in concentrated solar power systems P Martínez-Merino, S Midgley, EI Martin, P Estellé, R Alcántara, ... ATE HEFAT 2021-The 15th international conference on heat transfer, fluid …, 2021 | | 2021 |