Title: Breaking the Myth of the Recalcitrant Chemisorbed Hydrogens on Boron Nitride Nanotubes: A Theoretical Perspective
Abstract: Angewandte Chemie International EditionVolume 51, Issue 17 p. 4152-4156 Communication Breaking the Myth of the Recalcitrant Chemisorbed Hydrogens on Boron Nitride Nanotubes: A Theoretical Perspective† Lisa Roy, Lisa Roy Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S. C. Mullick Road, Kolkata 700032 (India)Search for more papers by this authorSamyak Mittal, Samyak Mittal St. Stephen's College, University Enclave, Delhi 10007 (India)Search for more papers by this authorDr. Ankan Paul, Corresponding Author Dr. Ankan Paul [email protected] Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S. C. Mullick Road, Kolkata 700032 (India)Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S. C. Mullick Road, Kolkata 700032 (India)Search for more papers by this author Lisa Roy, Lisa Roy Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S. C. Mullick Road, Kolkata 700032 (India)Search for more papers by this authorSamyak Mittal, Samyak Mittal St. Stephen's College, University Enclave, Delhi 10007 (India)Search for more papers by this authorDr. Ankan Paul, Corresponding Author Dr. Ankan Paul [email protected] Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S. C. Mullick Road, Kolkata 700032 (India)Raman Centre for Atomic Molecular and Optical Sciences, Indian Association for the Cultivation of Science, 2A & 2B, Raja S. C. Mullick Road, Kolkata 700032 (India)Search for more papers by this author First published: 21 March 2012 https://doi.org/10.1002/anie.201107962Citations: 21 † L.R. would like to acknowledge the research fellowship provided by the Council of Scientific and Industrial Research (CSIR). A.P. would like to thank the INDNOR project (grant number INT/NOR/RCN/P-01/2011) for providing financial support. Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical Abstract Chemical hydrogen storage: Theoretical investigations showed that the dehydrogenation of chemisorbed hydrogen atoms on boron nitride nanotubes (BNNT) could be triggered by appropriate reagents through simultaneous proton and hydride transfer (see picture). The computed free-energy of the activation barrier for the reduction of formaldehyde to methanol by chemisorbed hydrogen atoms on a zigzag BNNT was predicted to be 12.7 kcal mol−1 in THF. Supporting Information Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. 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Publication Year: 2012
Publication Date: 2012-03-21
Language: en
Type: article
Indexed In: ['crossref', 'pubmed']
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Cited By Count: 22
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