Topics in Current Chemistry Collections Xuefeng Guo Editor Molecular- Scale Electronics Current Status and Perspectives Topics in Current Chemistry Collections Journal Editors Massimo Olivucci, Siena, Italy and Bowling Green, USA Wai-Yeung Wong, Hong Kong Series Editors Hagan Bayley, Oxford, UK Greg Hughes, Codexis Inc, USA Christopher A. Hunter, Cambridge, UK Seong-Ju Hwang, Seoul, South Korea Kazuaki Ishihara, Nagoya, Japan Barbara Kirchner, Bonn, Germany Michael J. Krische, Austin, USA Delmar Larsen, Davis, USA Jean-Marie Lehn, Strasbourg, France Rafael Luque, Córdoba, Spain Jay S. Siegel, Tianjin, China Joachim Thiem, Hamburg, Germany Margherita Venturi, Bologna, Italy Chi-Huey Wong, Taipei, Taiwan Henry N.C. Wong, Hong Kong Vivian Wing-Wah Yam, Hong Kong Chunhua Yan, Beijing, China Shu-Li You, Shanghai, China Aims and Scope The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Moreinformationaboutthisseriesathttp://www.springer.com/series/14181 Xuefeng Guo Editor Molecular-Scale Electronics Current Status and Perspectives With contributions from Jie Bai • Huanli Dong • Xuefeng Guo • Wenjing Hong Duan Hu • Gui-Chao Hu • Wenping Hu • Rongjin Li • Xiaohui Li Zihao Liu • Takuji Ogawa • Shizhao Ren • Jia Shi • Hyunwook Song Yang Song • Takashi Tamaki • Zhibing Tan • Chuan-Kui Wang Kun Wang • Ling Wang • Lu Wang • Yu Wang • Dong Xiang Zongyuan Xiao • Zhen Xie • Bingqian Xu • Yang Yang Guang-Ping Zhang • Lei Zhang • Xiaotao Zhang • Weigang Zhu Editor Xuefeng Guo Peking University Beijing, China Partly previously published in Top Curr Chem (Z) Volume 374 (2016); Top Curr Chem (Z) V olume 375 (2017); Topics in Current Chemistry Volume 376 (2018). ISSN 2367-4067 Topics in Current Chemistry Collections ISBN 978-3-030-03304-0 Library of Congress Control Number: 2018961136 © Springer Nature Switzerland AG 2019 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. 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This Springer imprint is published by the registered company Springer Nature Switzerland AG The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland Contents Preface . ............................................................................................................... vii Modulation and Control of Charge Transport Through Single-Molecule Junctions ................................................................................ 1 Kun Wang and Bingqian Xu: Top Curr Chem (Z) 2017, 2019:17 (24, January 2017) DOI 10.1007/s41061-017-0105-z Advance of Mechanically Controllable Break Junction for Molecular Electronics ......................................................................................................... 45 Lu Wang, Ling Wang, Lei Zhang and Dong Xiang: Top Curr Chem (Z) 2017, 2019:61 (24, May 2017) DOI 10.1007/s41061-017-0149-0 Supramolecular Systems and Chemical Reactions in Single-Molecule Break Junctions ................................................................................................ 87 Xiaohui Li, Duan Hu, Zhibing Tan, Jie Bai, Zongyuan Xiao, Yang Yang, Jia Shi and Wenjing Hong: Top Curr Chem (Z) 2017, 2019:42 (23, March 2017) DOI 10.1007/s41061-017-0123-x Nonlinear and Nonsymmetric Single-Molecule Electronic Properties Towards Molecular Information Processing ................................................. 107 Takashi Tamaki and Takuji Ogawa: Top Curr Chem (Z) 2017, 2019:79 (5, September 2017) DOI 10.1007/s41061-017-0167-y Towards Rectifying Performance at the Molecular Scale ............................ 137 Guang-Ping Zhang, Zhen Xie, Yang Song, Gui-Chao Hu and Chuan-Kui Wang: Top Curr Chem (Z) 2017, 2019:85 (24, October 2017) https://doi.org/10.1007/s41061-017-0170-3 Switching Effects in Molecular Electronic Devices ....................................... 173 Zihao Liu, Shizhao Ren and Xuefeng Guo: Top Curr Chem (Z) 2017, 2019:56 (10, May 2017) DOI 10.1007/s41061-017-0144-5 v Contents Electrostatic Gate Control in Molecular Transistors . ................................... 207 Hyunwook Song: Topics in Current Chemistry 2018, 2019:37 (8, September 2018) https://doi.org/10.1007/s41061-018-0215-2 Organic Cocrystals: New Strategy for Molecular Collaborative Innovation . ......................................................................................................... 229 Yu Wang, Weigang Zhu, Huanli Dong, Xiaotao Zhang, Rongjin Li and Wenping Hu: Top Curr Chem (Z) 2016, 2019:83 (24, November 2016) DOI 10.1007/s41061-016-0081-8 vi Preface What does the future hold for electronic devices? To what extent can their dimensions be reduced in the future? The urgent need for miniaturizing silicon- based microelectronics, which is extremely challenging, has inspired intensive research in the field of molecular electronics for a few decades. The development of efficient methodologies to integrate individual or small collections of molecules into electrical nanocircuits is currently a research focus because it can not only overcome the increasing difficulties and fundamental limitations of device miniaturization, but can also enable us to understand the intrinsic properties of materials at the atomic- and/or molecular-length scale. However, the question of how to anchor individual molecules to two electrodes continuously confused researchers throughout the world. This has been achieved thanks to the develop- ment of advanced scanning probe microscopic techniques and computational models, which have allowed reliable investigation and simulation of the conductance of single molecules sandwiched between electrodes. This collection embraces a broad range of topics in the field of molecular-scale electronics from basic concepts and experimental investigations to theoretical simulations and further applications. It gathers together leading specialists from different disciplines, providing a deep overview of the current state of knowledge, including recent advances, open questions, and comprehensive lists of references. Although there are countless approaches of device fabrications and measurement technologies, there are selected techniques upon which the most important studies are based. The practical demonstration of these techniques is the hallmark of this collection; these examples can serve as a passe-partout pertinent to understanding device physics and underlying working mechanisms to many device-related research that could not be covered in this collection. In this sense, I hope that they are of good value to a wide spectrum of readers or researchers from other research fields as well. vii Preface K. Wang and B. Xu discuss various aspects of single-molecule junction electronics, with an emphasis on the single-molecule break junction technique, from the initial vision of molecular electronics, the development of experimental techniques in creating single-molecule junctions and determining single-molecule conductance, to the characterization of functional current-voltage features and investigation of physical properties beyond charge transport, such as quantum interference, heat transport, optoelectronics and spintronics. D. Xiang et al. provide a systematic overview of four test-beds for single-molecule junctions, with a focus on the development of state-of-the-art mechanically controlled break junctions, where three-terminal gated approaches are discussed. W. Hong et al. review the charge transport characterization of supramolecular junctions through a variety of non−covalent interactions and the recent progress in the formation of highly conductive molecular junctions via chemical reactions. T. Tamaki and T. Ogawa highlight molecular design for non-linear and non-symmetric single-molecule electronic properties, such as rectification, negative differential resistance, and switching, which are important components for future single-molecule information processing. C.-K. Wang et al. cover the theoretical and experimental progresses of molecular diodes based on either charge or spin as well as the detailed analysis of rectification mechanisms. X. Guo et al. summarize the strategies developed for creating single-molecule electrical switches and the mechanism of their switching effects, which is crucial for the development of molecular electronics. H. Song reviews recent progresses in constructing and characterizing state-of-the-art molecular transistors, in which the transport current is electrostatically or electro- chemically modulated by direct orbital gating. Finally, W. Hu et al. show the engineering concept of how to utilize organic cocrystals to constitute multi- functional molecular optoelectronics, opening a complementary door for molecular electronics. We are pleased that, exactly as planned, this collection turned out to be very well integrated, where each contribution focuses on a particular topic while still mutually supporting each other. This collection offers a good starting point for students and scientists who want to improve their understanding in the magic field of molecular electronics. We must acknowledge many prominent researchers that have contributed to this work, some of them with articles, others with highly insightful comments, which are invaluable to the success of this text. I personally would like to express my deep thanks to the editorial staff of Topics in Current Chemistry and the editorial board for choosing me to help organize this collection. We do hope that the readers will enjoy the informative and enlightening journey. viii Preface Xuefeng Guo Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China. Email: [email protected] ix