Nucleation of zeolitic imidazolate frameworks: from molecules to nanoparticles

Autor: Salvador R. G. Balestra, Bruno Martínez-Haya, Norge Cruz-Hernández, Dewi W. Lewis, Scott M. Woodley, Rocio Semino, Guillaume Maurin, A. Rabdel Ruiz-Salvador, Said Hamad

Publikováno v: Nanoscale. 15:3504-3519

A range of Density Functional Theory and Tight Binding calculations are employed to investigate the pre-nucleation processes that lead to the formation of ZIF crystals, finding that amorphous clusters might play a key role.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d2666e559c16e7f5e612776a2af34d2b
https://doi.org/10.1039/d2nr06521e

A novel Hamilton receptor monomer for the stoichiometric molecular imprinting of barbiturates

Autor: Dewi W. Lewis, Molly Slann, Panagiotis Manesiotis, Andy Hall, Stefania Lettieri

Publikováno v: Lettieri, S, Manesiotis, P, Slann, M, Lewis, D W & Hall, A J 2021, ' A novel Hamilton receptor monomer for the stoichiometric molecular imprinting of barbiturates ', Reactive and Functional Polymers, vol. 167, 105031 . https://doi.org/10.1016/j.reactfunctpolym.2021.105031

New molecularly imprinted polymers (MIPs) for the recognition of barbiturates were synthesised by “bulk” polymerisation. These polymers were prepared using pentobarbital as the template in combination with a novel Hamilton receptor functional mon

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::289894d77c476a4223e1ba99ca7afde4
https://doi.org/10.1016/j.reactfunctpolym.2021.105031

Location and orientation of the N,N-diisopropylethylamine template molecule in the AlPO4-18 framework by X-ray synchrotron diffraction and molecular modelling

Autor: Christiana Zenonos, Gopinathan Sankar, Dewi W. Lewis

Publikováno v: Chinese Journal of Catalysis. 36:874-879

Phase pure AlPO 4 with the AlPO 4 -18 (AEI) structure was synthesised using N,N -diisopropylethylamine as a template. Using a combination of X-ray powder diffraction and computational methods, the location and orientation of the N,N -diisopropylethyl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7b3a77b760ce39f96cd970424505eb56
https://doi.org/10.1016/s1872-2067(14)60306-5

Aluminium distribution in ZSM-5 revisited: The role of Al–Al interactions

Autor: A. Rabdel Ruiz-Salvador, Ricardo Grau-Crespo, Dewi W. Lewis, Aileen E. Gray

Publikováno v: Journal of Solid State Chemistry. 198:330-336

We present a theoretical study of the distribution of Al atoms in zeolite ZSM-5 with Si/Al=47, where we focus on the role of Al–Al interactions rather than on the energetics of Al/Si substitutions at individual sites. Using interatomic potential me

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f091fc516bf768e289a1efe12d137ce0
https://doi.org/10.1016/j.jssc.2012.10.022

Chemical insertion in the perovskite solid solutions Pr0.5+x−yLi0.5−3xBiy□2xTiO3: Implications on the electrical properties

Autor: María-Luisa Martínez-Sarrión, A.R. Ruiz-Salvador, Dewi W. Lewis, M.F. García-Sánchez, Nestor Fernández, Lourdes Mestres, Guillermo Santana

Publikováno v: Materials Science and Engineering: B. 177:563-569

Chemical insertion and de-insertion of lithium in pellet samples of the solid solutions Pr 0.5+ x − y Li 0.5−3 x Bi y □ 2 x TiO 3 were studied. Two regions of the phase diagram are studied: one having constant composition of bismuth and the oth

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::846d111ff699b0a53b0ee018aff8ce3e
https://doi.org/10.1016/j.mseb.2012.02.025