Title: Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5 Year: 2019
Authors (4):
S. A. F. .Nastase, A. J. O'Malley, C. R. A. .Catlow, A. J. Logsdail
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp06736h article-journal
Themes: Design (2018)
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Title: Pd local structure and size correlations to the activity of Pd/TiO2 for photocatalytic reforming of methanol Year: 2019
Authors (6):
N. Abdullah, H. Bahruji, S. M. Rogers, P. P. Wells, C. R. A. .Catlow, M. Bowker
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp00826h article-journal
Themes: Design (2019), Environment (2019), BAG (2019)
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Title: In situ synthesized low-PtCo@porous carbon catalyst for highly efficient hydrogen evolution Year: 2019
Authors (8):
J. Callison, S. Gadipelli, J. Guo, Z. Guo, X. Han, L. Kang, Y. Qin, S. Wu
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c8ta12263f article-journal
Themes: Design (2019)
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Title: An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid Year: 2019
Authors (2):
C. D. Zeinalipour-Yazdi, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp02968k article-journal
Themes: Design (2019)
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Title: Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces Year: 2019
Authors (1):
C. D. Zeinalipour-Yazdi
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp03934a journal-article
Themes: Design (2019)
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Title: Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study Year: 2018
Authors (7):
A. J. O'Malley, M. Sarwar, J. Armstrong, C. R. A. .Catlow, I. P. Silverwood, A. P. E. .York, I. Hitchcock
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp01022f article-journal
Themes: Design (2018)
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Title: Insights into the durability of Co–Fe spinel oxygen evolution electrocatalystsvia operandostudies of the catalyst structure Year: 2018
Authors (11):
L. Calvillo, F. Carraro, O. Vozniuk, V. Celorrio, L. Nodari, A. E. Russell, D. Debellis, D. J. Fermín, F. Cavani, S. Agnoli, G. Granozzi
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c7ta10892c article-journal
Themes: Design (2018)
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Title: Determining the importance of the electrode support and fabrication method during the initial screening process of an active catalyst for the oxygen evolution reaction Year: 2018
Authors (2):
M. P. Browne, A. Mills
Publisher: Journal of Materials Chemistry A
DOI: 10.1039/c8ta02908c article-journal
Themes: Energy (2018)
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Title: The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides Year: 2018
Authors (4):
C. D. Zeinalipour-Yazdi, J. S. J. .Hargreaves, S. Laassiri, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp04216k article-journal
Themes: Design (2018)
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Title: Pentablock Copolymer from Tetracomponent Monomer Mixture Using a Switchable Dizinc Catalyst Year: 2018
Authors (3):
T. T. . D. .Chen, Y. Zhu, C. K. Williams
Publisher: Macromolecules
DOI: 10.1021/acs.macromol.8b01224 journal-article
Themes: Transformations (2018)
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