Title: A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface Year: 2020
Authors (4):
A. Chutia, A. Thetford, M. Stamatakis, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp05476f article-journal
Themes: Design (2020)
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Title: Adsorbate-Induced Structural Evolution of Pd Catalyst for Selective Hydrogenation of Acetylene Year: 2020
Authors (8):
Y. Liu, F. Fu, A. J. McCue, W. Jones, D. Rao, J. Feng, Y. He, D. Li
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c03897 journal-article
Themes: BAG (2020)
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Title: Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts Year: 2020
Authors (8):
M. Bowker, P. Hellier, D. Decarolis, D. Gianolio, K. M. H. .Mohammed, A. Stenner, T. Huthwelker, P. P. Wells
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp01192d article-journal
Themes: Design (2020)
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Title: CO Poisoning of Ru Catalysts in CO2 Hydrogenation under Thermal and Plasma Conditions: A Combined Kinetic and Diffuse Reflectance Infrared Fourier Transform Spectroscopy–Mass Spectrometry Study Year: 2020
Authors (8):
S. Xu, S. Chansai, S. Xu, C. E. Stere, Y. Jiao, S. Yang, C. Hardacre, X. Fan
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c03620 journal-article
Themes: Water-Energy (2020), Energy (2020)
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Title: Dual-Site-Mediated Hydrogenation Catalysis on Pd/NiO: Selective Biomass Transformation and Maintenance of Catalytic Activity at Low Pd Loading Year: 2020
Authors (9):
S. Campisi, C. E. Chan-Thaw, L. E. Chinchilla, A. Chutia, G. A. Botton, K. M. H. .Mohammed, N. Dimitratos, P. P. Wells, A. Villa
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c00414 article-journal
Themes: Design (2020)
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Title: Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy Year: 2020
Authors (8):
I. B. Minova, S. K. Matam, A. G. Greenaway, C. R. A. .Catlow, M. D. Frogley, G. Cinque, P. A. Wright, R. F. Howe
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp00704h article-journal
Themes: Design (2020)
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Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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Title: Isolated Pd Sites as Selective Catalysts for Electrochemical and Direct Hydrogen Peroxide Synthesis Year: 2020
Authors (7):
M. Ledendecker, E. Pizzutilo, G. Malta, G. V. Fortunato, K. J. J. .Mayrhofer, G. J. Hutchings, S. J. Freakley
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c01305 journal-article
Themes: BAG (2020)
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Title: Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations Year: 2020
Authors (7):
S. A. F. .Nastase, P. Cnudde, L. Vanduyfhuys, K. De Wispelaere, V. Van Speybroeck, C. R. A. .Catlow, A. J. Logsdail
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c01454 journal-article
Themes: Collaborations (2020)
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Title: Modelling the bulk properties of ambient pressure polymorphs of zirconia Year: 2020
Authors (3):
M. Delarmelina, M. G. Quesne, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp00032a article-journal
Themes: New Catalysts (2020)
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