Items where authors include "Harding, J.H."
Article
Galloway, J.M. orcid.org/0000-0003-3998-0870, Aslam, Z.P., Yeandel, S.R. orcid.org/0000-0002-6977-1677 et al. (10 more authors) (2023) Electron transparent nanotubes reveal crystallization pathways in confinement. Chemical Science, 14 (24). pp. 6705-6715. ISSN 2041-6520
Handley, C.M. orcid.org/0000-0001-7291-2197, Ward, R.E. orcid.org/0000-0003-4682-557X, Freeman, C.L. orcid.org/0000-0002-6326-1211 et al. (3 more authors) (2023) Dynamic tilting in perovskites. Acta Crystallographica Section A Foundations and Advances, 79 (2). pp. 163-170. ISSN 0108-7673
Freeman, C.L. orcid.org/0000-0002-6326-1211 and Harding, J.H. orcid.org/0000-0001-8429-3151 (2023) The transformation of amorphous calcium carbonate to calcite and classical nucleation theory. Journal of Crystal Growth, 603. 126978. ISSN 0022-0248
Ilett, M., Freeman, H.M., Aslam, Z. et al. (11 more authors) (2022) Evaluation of correlated studies using liquid cell‐ and cryo‐transmission electron microscopy : hydration of calcium sulfate and the phase transformation pathways of bassanite to gypsum. Journal of Microscopy, 288 (3). pp. 155-168. ISSN 0022-2720
Marinova, V., Freeman, C.L. orcid.org/0000-0002-6326-1211 and Harding, J.H. orcid.org/0000-0001-8429-3151 (2022) Significance of atomic-scale defects in flexible surfaces on local solvent and ion behaviour. Faraday Discussions, 235. pp. 289-306. ISSN 1359-6640
Fantauzzo, V., Yeandel, S.R. orcid.org/0000-0002-6977-1677, Freeman, C.L. orcid.org/0000-0002-6326-1211 et al. (1 more author) (2022) A transferable force-field for alkali metal nitrates. Journal of Physics Communications, 6 (5). 055011. ISSN 2399-6528
Ben, L., Li, L., Harding, J.H. orcid.org/0000-0001-8429-3151 et al. (2 more authors) (2022) Tuning the electrical conductivity of Rare Earth-doped BaTiO3 using Gd2O3 as an exemplar. Open Ceramics, 9. 100250.
Morales-García, A.L., Walton, R., Blakeman, J.T. et al. (5 more authors) (2021) The role of extracellular DNA in microbial attachment to oxidized silicon surfaces in the presence of Ca2+ and Na+. Langmuir, 37 (32). pp. 9838-9850. ISSN 0743-7463
Finney, A.R., Innocenti Malini, R., Freeman, C.L. orcid.org/0000-0002-6326-1211 et al. (1 more author) (2020) Amino acid and oligopeptide effects on calcium carbonate solutions. Crystal Growth & Design, 20 (5). pp. 3077-3092. ISSN 1528-7483
Ward, R.E., Freeman, C.L. orcid.org/0000-0002-6326-1211, Dean, J.S. orcid.org/0000-0001-7234-1822 et al. (2 more authors) (2020) Using metadynamics to obtain the free energy landscape for cation diffusion in functional ceramics : dopant distribution control in rare earth-doped BaTiO3. Advanced Functional Materials, 30 (6). 1905077. ISSN 1616-301X
Garcia, N.A., Malini, R.I., Freeman, C.L. orcid.org/0000-0002-6326-1211 et al. (5 more authors) (2019) Simulation of calcium phosphate prenucleation clusters in aqueous solution : association beyond ion pairing. Crystal Growth & Design, 19 (11). pp. 6422-6430. ISSN 1528-7483
Innocenti Malini, R., L. Freeman, C. and Harding, J.H. orcid.org/0000-0001-8429-3151 (2019) Interaction of stable aggregates drives the precipitation of calcium phosphate in supersaturated solutions. CrystEngComm, 21 (42). pp. 6354-6364.
Heath, J.P., Harding, J.H. orcid.org/0000-0001-8429-3151, Sinclair, D.C. orcid.org/0000-0002-8031-7678 et al. (1 more author) (2019) The analysis of impedance spectra for core–shell microstructures : why a multiformalism approach is essential. Advanced Functional Materials, 29 (38). ISSN 1616-301X
Heath, J.P., Harding, J.H. orcid.org/0000-0001-8429-3151, Sinclair, D.C. orcid.org/0000-0002-8031-7678 et al. (1 more author) (2018) Electric field enhancement in ceramic capacitors due to interface amplitude roughness. Journal of the European Ceramic Society. ISSN 0955-2219
Demichelis, R. orcid.org/0000-0001-9741-213X, Garcia, N.A., Raiteri, P. orcid.org/0000-0003-0692-0505 et al. (4 more authors) (2018) Simulation of calcium phosphate species in aqueous solution: force field derivation. Journal of Physical Chemistry B, 122 (4). pp. 1471-1483. ISSN 1520-6106
Innocenti Malini, R., Finney, A.R., Hall, S.A. et al. (2 more authors) (2017) The Water–Amorphous Calcium Carbonate Interface and Its Interactions with Amino Acids. Crystal Growth & Design, 17 (11). pp. 5811-5822. ISSN 1528-7483
Hufton, J., Harding, J.H. orcid.org/0000-0001-8429-3151 and Romero-Gonzalez, M.E. orcid.org/0000-0001-5808-5383 (2016) The role of extracellular DNA in uranium precipitation and biomineralisation. Physical Chemistry Chemical Physics. ISSN 1463-9076
Demarchi, B., Hall, S., Roncal-Herrero, T. et al. (33 more authors) (2016) Protein sequences bound to mineral surfaces persist into deep time. eLife, 5. e17092. ISSN 2050-084X
Demarchi, B., Hall, S., Roncal-Herrero, T. et al. (33 more authors) (2016) Protein sequences bound to mineral surfaces persist into deep time. eLife, 5. e17092. ISSN 2050-084X
Williams, C.D., Travis, K.P., Burton, N.A. et al. (1 more author) (2016) A New Method for the Generation of Realistic Atomistic Models of Siliceous MCM-41. Microporous and Mesoporous Materials, 228. pp. 215-223. ISSN 1387-1811
Kim, Y.Y., Carloni, J.D., Demarchi, B. et al. (12 more authors) (2016) Tuning hardness in calcite by incorporation of amino acids. Nature Materials, 15 (8). pp. 903-910. ISSN 1476-1122
Malini, R.I., Bushuev, Y.G., Hall, S.A. et al. (3 more authors) (2016) Using simulation to understand the structure and properties of hydrated amorphous calcium carbonate. CrystEngComm, 18 (1). pp. 92-101. ISSN 1466-8033
Heath, J.P., Dean, J.S., Harding, J.H. et al. (1 more author) (2015) Simulation of impedance spectra for core-shell grain structures using finite element modeling. Journal of the American Ceramic Society, 98 (6). 1925 - 1931. ISSN 0002-7820
Freeman, C.L., Harding, J.H., Quigley, D. et al. (1 more author) (2015) How does an amorphous surface influence molecular binding? - ovocleidin-17 and amorphous calcium carbonate. Physical Chemistry Chemical Physics, 17 (26). 17494 - 17500. ISSN 1463-9076
Sparks, D.J., Romero-Gonzalez, M.E., El-Taboni, E. et al. (6 more authors) (2015) Adsorption of poly acrylic acid onto the surface of Q1 calcite: an experimental and simulation study. Physical Chemistry Chemical Physics, 17. p. 27357. ISSN 1463-9084
Dawson, J.A., Sinclair, D.C., Harding, J.H. et al. (1 more author) (2014) A-Site Strain and Displacement in Ba1-xCaxTiO3 and Ba1-xSrxTiO3 and the Consequences for the Curie Temperature. Chemistry of Materials, 26 (21). pp. 6104-6112. ISSN 0897-4756
Archer, A., Foxhall, H.R., Allan, N.L. et al. (5 more authors) (2014) Order parameter and connectivity topology analysis of crystalline ceramics for nuclear waste immobilization. Journal of Physics: Condensed Matter, 26 (48). ISSN 0953-8984
Chen, H., Dawson, J.A. and Harding, J.H. (2014) Effects of cationic substitution on structural defects in layered cathode materials LiNiO2. Journal of Materials Chemistry A, 2 (21). 7988 - 7996. ISSN 2050-7488
Dean, J.S., Harding, J.H. and Sinclair, D.C. (2014) Simulation of impedance spectra for a full three-dimensional ceramic microstructure using a finite element model. Journal of the American Ceramic Society, 97 (3). 885 - 891. ISSN 0002-7820
Lamers, M., Hintzsche, L.E., Butler, K.T. et al. (7 more authors) (2014) The interface of a-SiNx:H and Si: Linking the nano-scale structure to passivation quality. Solar Energy Materials and Solar Cells, 120 (Part A). pp. 311-316. ISSN 0927-0248
Freeman, C.L. and Harding, J.H. (2013) Entropy of Molecular Binding at Solvated Mineral Surfaces. Journal of Physical Chemistry C, 118 (3). 1506 - 1514. ISSN 1932-7447
Dawson, J.A., Li, X., Freeman, C.L. et al. (2 more authors) (2012) The application of a new potential model to the rare-earth doping of SrTiO3 and CaTiO3. Journal of Materials Chemistry C, 1 (8). 1574 - 1582. ISSN 2050-7526
Butler, K.T., Harding, J.H., Lamers, M.P.W.E. et al. (1 more author) (2012) Stoichiometrically graded SiNx for improved surface passivation in high performance solar cells. Journal of Applied Physics, 112 (9). Article number: 094303. ISSN 0021-8979
Hu, Q., Nielsen, M.H., Freeman, C.L. et al. (8 more authors) (2012) The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways. Faraday Discussions, 159. 509 - 523. ISSN 1359-6640
Dawson, J.A., Harding, J.H., Chen , H.R. et al. (1 more author) (2012) First principles study of intrinsic point defects in hexagonal barium titanate. Journal of Applied Physics, 111 (9). Article number: 094108. ISSN 0021-8979
Chen, H.R. and Harding, J.H. (2012) Nature of the hole states in Li-doped NiO. Physical Review B (PRB), 85 (11). pp. 115-127. ISSN 1098-0121
Butler, K.T., Lamers, M.P.W.E., Weeber , A.W. et al. (1 more author) (2011) Molecular dynamics studies of the bonding properties of amorphous silicon nitride coatings on crystalline silicon. Journal of Applied Physics, 84 (8). Art no. 085108. ISSN 0021-8979
Chen, H.R., Freeman, C.L. and Harding, J.H. (2011) Charge disproportionation and Jahn-Teller distortion in LiNiO2 and NaNiO2: A density functional theory study. Physical Review B (PRB), 84 (8). Article number: 085108. ISSN 1098-0121
Butler, K.T., Vollum, P.E., Muggerud, A.M. et al. (2 more authors) (2011) Structural and electronic properties of silver/silicon interfaces and implications for solar cell performance. Physical Review B (PRB), 83 (23). Article number: 235307. ISSN 1098-0121