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

Authors (7): S. A. F. .Nastase, P. Cnudde, L. Vanduyfhuys, K. De Wispelaere, V. Van Speybroeck, C. R. A. .Catlow, A. J. Logsdail

Themes: Collaborations (2020)

DOI: 10.1021/acscatal.0c01454

Citations: 39

Pub type: journal-article

Publisher: American Chemical Society (ACS)

Issue: 15

License: [{"start"=>{"date-parts"=>[[2020, 9, 7]], "date-time"=>"2020-09-07T00:00:00Z", "timestamp"=>1599436800000}, "content-version"=>"vor", "delay-in-days"=>57, "URL"=>"http://pubs.acs.org/page/policy/authorchoice_termsofuse.html"}]

Publication date(s): 2020/08/07 (print) 2020/07/12 (online)

Pages: 8904-8915

Volume: 10 Issue: 15

Journal: ACS Catalysis

Link: [{"URL"=>"http://pubs.acs.org/doi/pdf/10.1021/acscatal.0c01454", "content-type"=>"application/pdf", "content-version"=>"vor", "intended-application"=>"unspecified"}, {"URL"=>"https://pubs.acs.org/doi/pdf/10.1021/acscatal.0c01454", "content-type"=>"unspecified", "content-version"=>"vor", "intended-application"=>"similarity-checking"}]

URL: http://dx.doi.org/10.1021/acscatal.0c01454


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