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  • 4 Similar Profiles
Temperature Engineering & Materials Science
Water Engineering & Materials Science
Ions Engineering & Materials Science
Nanoparticles Engineering & Materials Science
Oxides Engineering & Materials Science
Cerium compounds Engineering & Materials Science
Defects Engineering & Materials Science
Lithium Engineering & Materials Science

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Projects 2002 2020

Research Output 2005 2018

Combined EXAFS and ab initio study of copper complex geometries adsorbed on natural illite

Martins, D. M. S., Mirão, J. P., Göttlicher, J., Molinari, M., Steininger, R., Parker, S. C. & Gonçalves, M. A. 1 Feb 2018 In : Applied Clay Science. 152, p. 73-82 10 p.

Research output: Contribution to journalArticle


Prospects for engineering thermoelectric properties in La1/3NbO3 ceramics revealed via atomic-level characterization and modelling

Kepaptsoglou, D., Baran, J., Azough, F., Ekren, D., Srivastava, D., Molinari, M., Parker, S. C., Ramasse, Q. M. & Freer, R. 2018 In : Inorganic Chemistry. 57, 1, p. 45-55

Research output: Contribution to journalArticle

thermal conductivity
Seebeck effect
electron diffraction

A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer based chemical sensor

Bryant, M. , Skelton, J. , Hatcher, L. , Stubbs, C. , Madrid, E. , R. Pallipurath, A. , Thomas, L. , Woodall, C. , Christensen, J. , Fuertes, S. , Robinson, T. , Beavers, C. M. , Teat, S. J. , Warren, M. R. , Pradaux-Caggiano, F. , Walsh, A. , Marken, F. , Carbery, D. , Parker, S. , Mckeown, N. B. & 3 others Malpass-evans, R., Carta, M. & Raithby, P. 27 Nov 2017 In : Nature Communications. 8, p. 1-9 9 p., 1800

Research output: Contribution to journalArticle

Chemical sensors
Volatile organic compounds
Volatile Organic Compounds

Carbonation of Hydrous Materials at the Molecular Level: A Time of Flight-Secondary Ion Mass Spectrometry, Raman and Density Functional Theory Study

Pesce, G. L., Fletcher, I. W., Grant, R., Molinari, M., Parker, S. C. & Ball, R. J. 1 Mar 2017 In : Crystal Growth and Design. 17, 3, p. 1036-1044 9 p.

Research output: Contribution to journalArticle

2 Citations

cemff: A force field database for cementitious materials including validations, applications and opportunities

Mishra, R. K., Mohamed, A. K., Geissbühler, D., Manzano, H., Jamil, T., Shahsavari, R., Kalinichev, A. G., Galmarini, S., Tao, L., Heinz, H., Pellenq, R., van Duin, A. C. T., Parker, S. C., Flatt, R. J. & Bowen, P. 1 Dec 2017 In : Cement and Concrete Research. 102, p. 68-89 22 p.

Research output: Contribution to journalReview article

Density functional theory