Zobrazeno 1 - 10
of 565
pro vyhledávání: '"C R A Catlow"'
Autor:
C. R. A. Catlow
Publikováno v:
IUCrJ, Vol 2, Iss 4, Pp 384-386 (2015)
Externí odkaz:
https://doaj.org/article/58c685a1aebf4a24b603f10c0d11f51f
Autor:
Alexander J. O'Malley, Marta Falkowska, C. R. A. Catlow, Christopher Hardacre, Sarayute Chansai, Daniel Dervin, Ian P. Silverwood
Publikováno v:
Physical Chemistry Chemical Physics. 22:11485-11489
A combination of Molecular Dynamics (MD) simulations and Quasielastic Neutron Scattering (QENS) experiments has been used to investigate the dynamics and structure of benzene in MCM-41 based catalysts. QENS experiments of benzene as both an unconfine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c1e60f5ae52a3bedc30042cbfd82267
https://doi.org/10.1039/d0cp01196g
https://doi.org/10.1039/d0cp01196g
Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions
Autor:
C. R. A. Catlow, Conor Waldron, Stanislaw E. Golunski, Ian P. Silverwood, Santhosh Kumar Matam, Asterios Gavriilidis, Gopinathan Sankar, Peter P. Wells, Giannantonio Cibin, Baldassarre Venezia, Emma K. Gibson, Enhong Cao
Publikováno v:
Catalysis Science & Technology. 10:7842-7856
Operando X-ray absorption spectroscopy (XAS), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and mass spectrometry (MS) provide complementary information on the catalyst structure, surface reaction mechanisms and activity relati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::acf6c111ec21f121ee86e35cd778c9cf
https://doi.org/10.1039/d0cy01608j
https://doi.org/10.1039/d0cy01608j
Publikováno v:
IUCrJ
IUCrJ, Vol 5, Iss 3, Pp 325-334 (2018)
IUCrJ, Vol 5, Iss 3, Pp 325-334 (2018)
Polymorphic structural changes in tridymite have been investigated by molecular dynamics simulation. The main polymorphic transitions were reproduced and their mechanisms are explained.
Structural changes in tridymite have been investigated by m
Structural changes in tridymite have been investigated by m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a47e240c45b5ad5aa8cca05f3329af7a
https://doi.org/10.1107/s2052252518004803
https://doi.org/10.1107/s2052252518004803
Publikováno v:
Physical Review B. 100
The presence of defects in the narrow gap semiconductors GaSb and InSb affects their dopability and hence applicability for a range of optoelectronic applications. Here, we report hybrid density functional theory (DFT)-based calculations of the prope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef5a9421e54fe49d5adc5beed4d9b057
https://doi.org/10.1103/physrevb.100.035207
https://doi.org/10.1103/physrevb.100.035207
Publikováno v:
Physical Review B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=r3c4b2081b22::ef5a9421e54fe49d5adc5beed4d9b057
Autor:
Albert, Aniagyei, Nelson Y, Dzade, Richard, Tia, Evans, Adei, C R A, Catlow, Nora H, de Leeuw
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(45)
We present a Hubbard-corrected density functional theory (DFT+U) study of the adsorption and reduction reactions of oxygen on the pure and 25% Ca-doped LaMnO3 (LCM25) {100} and {110} surfaces. The effect of oxygen vacancies on the adsorption characte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ed225c5904b6f9adc44b597853c9c3f9
https://pubmed.ncbi.nlm.nih.gov/30411098
https://pubmed.ncbi.nlm.nih.gov/30411098
We present a Hubbard-corrected density functional theory (DFT+U) study of the adsorption and reduction reactions of oxygen on the pure and 25% Ca-doped LaMnO3 (LCM25) {100} and {110} surfaces. The effect of oxygen vacancies on the adsorption characte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a3dd8949a29fd4558579b2016fc8876
Hutchings GJ, Catlow CR, Turner N. 2018 ‘Providing sustainable catalytic solutions for a rapidly changing world’. Proc. R. Soc. A 474 , 20180414. ([doi:10.1098/rspa.2018.0414][1]) With apologies, we must inform the … [1]: http://dx.doi.org/10.1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c9160845ad7e6380044fd9cec9e0e62
https://europepmc.org/articles/PMC6127393/
https://europepmc.org/articles/PMC6127393/
Catalysis is a key area of modern science and the recognition of its importance has been increasing in recent years. In view of this a Royal Society Discussion Meeting was held on 8–9 May 2017 bringing together many facets of the latest research in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e978070926179c4a5d560d9e33727b22
https://europepmc.org/articles/PMC6083239/
https://europepmc.org/articles/PMC6083239/