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2 Guide Through the Nanocarbon Jungle Buckyballs, nanotubes, graphene, and beyond

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4 Guide Through the Nanocarbon Jungle Buckyballs, nanotubes, graphene, and beyond David Tománek Michigan State University Morgan & Claypool Publishers

5 Copyright ª 2014 Morgan & Claypool Publishers All rights reserved. No part of this publication may be reproduced, stored in a retrieval system or transmitted in any form or by any means, electronic, mechanical, photocopying, recording or otherwise, without the prior permission of the publisher, or as expressly permitted by law or under terms agreed with the appropriate rights organization. Multiple copying is permitted in accordance with the terms of licences issued by the Copyright Licensing Agency, the Copyright Clearance Centre and other reproduction rights organisations. Rights & Permissions To obtain permission to re-use copyrighted material from Morgan & Claypool Publishers, please contact info@morganclaypool.com. ISBN ISBN (ebook) (print) DOI / Version: IOP Concise Physics ISSN (online) ISSN (print) A Morgan & Claypool publication as part of IOP Concise Physics Morgan & Claypool Publishers, 40 Oak Drive, San Rafael, CA, USA

6 To my parents, for their patience

7 Acknowledgments I gratefully acknowledge the assistance of Thomas Moore who provided the graphics for figures 1, 7, 13, 14, 15, 24, 25, 34, 38, 43, 78, 82, 87 and 98. The graphic used in figure 39(b) was provided by Andras Kis. Density functional electronic structure calculations used in figures 2, 12, 39, 44 and 63 were performed by Toshihiko Fujimori, Ceren Tayran and Zhen Zhu. I am also grateful for useful comments and suggestions by many colleagues, especially Walt A de Heer, Shigeo Maruyama, Hisanori Shinohara and Peter Thrower. Iamfinally indebted to Nick Frederick for a very careful proof reading. vi

8 Contents About the author ix Introduction xi Guide Through the Nanocarbon Jungle 1 Further information 83 vii

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10 About the author David Tománek David Tománek studied Physics in Switzerland and received his PhD from the Free University in Berlin. While holding a position as Assistant Professor of Physics in Berlin, he got engaged in theoretical research in Nanostructures at the AT&T Bell Laboratories and the University of California at Berkeley. He established the field of Computational Nanotechnology at Michigan State University, where he holds a position as Full Professor of Physics. His scientific expertise lies in the development and application of numerical techniques for structural, electronic and optical properties of surfaces, low-dimensional systems and nanostructures. Since he was working on his PhD Thesis, he promoted the use of computer simulations to understand atomic-level processes at surfaces and in atomic clusters. Witnessed in several hundred publications and invited talks are his results on the electronic structure, mechanical, thermal and optical properties, as well as quantum conductance of nanostructures. His contributions to Computational Nanotechnology, in particular in the field of fullerenes and nanotubes, have been rewarded by a Fellowship of the American Physical Society, the Alexander-von-Humboldt Foundation Distinguished Senior Scientist Award and the Japan Carbon Award for Life-Time Achievement. ix

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12 Introduction Buckyball, onion, nanobud, peapod what are these buzzwords about? was a question posed to me many times over the last decade or two. This concise glossary is designed to provide the first answer to these and similar questions, and be a guide through the jungle of the jargon that has evolved in the busy field of carbon nanostructures. It does not provide a complete review of the nanocarbon field nor should it be mistaken for a textbook. The main intention is to provide useful information about keywords and explain basic concepts in nanocarbon science to all interested parties. Many entries are accompanied by references to primary literature, which I consider useful to illustrate the context; to that degree this selection is somewhat arbitrary and surely incomplete. Non-experts may appreciate the information about properties of nanocarbons and the significance of particular synthesis and characterization techniques. Experts may find good use for simple expressions and expectation values of sizes, strain energies and electronic properties of various carbon nanostructures. In order to demystify the field, I tried my best to simplify the terminology to a large degree, trying to make it accessible to interested individuals with little more than high-school education. I hope this intention finds the approval also of those colleagues who are used to the compact scientific shorthand notation and who may find some explanations overly simplified. As the ultimate motivation to put together this glossary, I have found that the field of carbon nanostructures is too rich in beauty and possibilities to keep it only to those who specialize in particular sub-fields as researchers. East Lansing, December 2013 xi

13 Guide Through the Nanocarbon Jungle How to Find What You Are Looking For The monograph contains the main encyclopedic part and separate appendices: key entries in the main part are typeset in boldface; italicized expressions in the main part refer to key entries; time lines of fullerenes, nanotubes and graphene list major discoveries that paved the way to fame for these systems; tables of useful quantities offer a quick reference for those active in nanocarbon research. Supplementary information for each key entry in this book is provided at the URL xii