Article
Chemistry, Multidisciplinary
Wei Zhang, Zhibin Zhao, Min Tan, Adila Adijiang, Shurong Zhong, Xiaona Xu, Tianran Zhao, Emusani Ramya, Lu Sun, Xueyan Zhao, Zhiqiang Fan, Dong Xiang
Summary: The binding orientation of molecules with respect to the electrode is crucial for the performance of molecular devices. However, modulating the binding orientation of single molecules in situ remains challenging. In this study, we demonstrate that the conductance of pyridine-anchored molecular junctions can be controlled by the applied voltage using a STM-BJ technique. Flicker noise measurements and theoretical calculations support the notion that the orientation of nitrogen-gold bonds in the molecular junctions can be manipulated by the mechanical stretching force and electric fields.
Article
Chemistry, Multidisciplinary
Anni Feng, Songjun Hou, Juanzhu Yan, Qingqing Wu, Yongxiang Tang, Yang Yang, Jia Shi, Zong-Yuan Xiao, Colin J. Lambert, Nanfeng Zheng, Wenjing Hong
Summary: Quantum-tunneling-based nanoelectronics has the potential to miniaturize electronics to below 5 nm. This study investigates the conductance of well-defined silver nanoclusters with varying sizes. The results show that the conductance increases with cluster size, contrary to the behavior of organic molecules. The study suggests that these nanoclusters can be used as building blocks for nanodevices in the sub-5 nm size range.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Chemistry, Multidisciplinary
William Bro-Jorgensen, Joseph M. Hamill, Rasmus Bro, Gemma C. Solomon
Summary: This tutorial review describes the crucial aspects of applying machine learning to help users avoid common pitfalls. Examples based on single-molecule electron transport experiments demonstrate the application of machine learning and highlight the importance of careful application. The concepts explored are also applicable in other fields with similar data.
CHEMICAL SOCIETY REVIEWS
(2022)
Article
Multidisciplinary Sciences
Jinshi Li, Pingchuan Shen, Shijie Zhen, Chun Tang, Yiling Ye, Dahai Zhou, Wenjing Hong, Zujin Zhao, Ben Zhong Tang
Summary: Single-molecule potentiometers based on ortho-pentaphenylene derivatives exhibit a controllable conductance modulation through multiple folded conformers, achieving a significantly higher switching factor than previously reported values. The charge transport mechanism for these folded molecules is rationalized as a multichannel conductance governed by through-space and through-bond conducting pathways, shedding light on exploring robust single-molecule potentiometers based on helical structures.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Zhi Li, Leopoldo Mejia, Jonathan Marrs, Hyunhak Jeong, Joshua Hihath, Ignacio Franco
Summary: By utilizing atomistic simulations and experiments, researchers have found that even under ideal conditions, molecular junction experiments at the single-molecule level will still exhibit a broad conductance histogram. The dispersion is caused by changes in conductance as the junction is mechanically manipulated and the stochastic nature of junction rupture.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Review
Chemistry, Multidisciplinary
Haojie Liu, Hao Zhang, Yongjie Zhao, Junyang Liu, Wenjing Hong
Summary: In the past few decades, prototypes of single-molecule devices have emerged, leading to rapid development in the field of single-molecule electronics. Resolving the interface properties of single-molecule devices is crucial for their various practical applications. This review highlights the significance and urgency of interface resolving at single-molecule junctions (SMJs), summarizes the main progress in the construction, characterization, and modulation of SMJs, and discusses novel functionalization and critical challenges in fabricating reliable molecular devices. It provides a comprehensive understanding of interface resolving and offers novel insights into the design and fabrication of multifunctional molecular devices.
TRENDS IN CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Yutaka Ie, Yuji Okamoto, Takuya Inoue, Takuji Seo, Tatsuhiko Ohto, Ryo Yamada, Hirokazu Tada, Yoshio Aso
Summary: This study presents a rational molecular design to enhance intramolecular hopping charge transport in materials by synthesizing a series of oligothiophenes with lengths up to 10 nm and periodically twisted structures, which exhibit lower resistance than planar oligothiophenes in single-molecule conductance measurements.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Review
Chemistry, Multidisciplinary
Ridwan Tobi Ayinla, Mehrdad Shiri, Bo Song, Mahesh Gangishetty, Kun Wang
Summary: Integrating efforts from various fields, single-molecule electronics has made remarkable progress with the development of single-molecule junction techniques. While the electrical properties of covalent molecules have been extensively studied, the impact of non-covalent interactions has gained increasing attention recently. Understanding both covalent and non-covalent interactions is crucial for expanding the functionality and scalability of molecular-scale devices. This review surveys the advances in probing how non-covalent interactions affect electron transmission through single molecules, focusing on key interactions such as π-π stacking, hydrogen bonding, and charge transfer complexation.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Tianwei Li, Luqing Gan, Lin Li, Shijie Zhen
Summary: Exploring conductance modulation in molecular circuits is important for building efficient molecular electronic devices. Novel through-space conjugated molecular wires based on naphthalene have been synthesized and their electronic structures, conductance behaviors, and working mechanisms have been investigated. The single-molecular conductance measurements showed that o-Naph has slightly higher conductance than m-Naph due to through-bond and through-space conjugation. Flicker noise analyses and theoretical study confirmed the crucial role of through-space conjugation in charge transport. These findings demonstrate the effectiveness of through-space conjugation in modulating single-molecular conductance.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Physical
Shuhui Tao, Qian Zhang, Andrea Vezzoli, Cezhou Zhao, Chun Zhao, Simon J. Higgins, Alexander Smogunov, Yannick J. Dappe, Richard J. Nichols, Li Yang
Summary: In this study, the single-molecular conductance of a redox active viologen molecular bridge between Au|graphene electrodes was investigated in an electrochemical gating configuration. The results showed a clear off-on-off conductance switching behavior through gating of the redox state. The study also revealed that substituting one gold contact for a graphene one had a significant impact on the junction conductance values. The experimental data was compared against two theoretical models, providing insights into the charge state evolution of the molecule with electrode potential and the sequential charge transport through the redox center in the adiabatic limit. This work opens perspectives for graphene-based molecular transistors with more effective gating and a better understanding of electrochemical electron transfer at the single molecular level.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Joseph M. Hamill, Ali Ismael, Alaa Al-Jobory, Troy L. R. Bennett, Maryam Alshahrani, Xintai Wang, Maxwell Akers-Douglas, Luke A. Wilkinson, Benjamin J. Robinson, Nicholas J. Long, Colin Lambert, Tim Albrecht
Summary: We study the properties of anthracene-based molecules with anchor groups capable of binding to noble metal substrates. The effect of different anchor groups and quantum interference on the electronic and thermoelectric properties of single-molecule junctions is investigated. The results show good agreement between theory and experiments, and suggest that the choice of anchor group and electrode material can significantly influence the thermoelectric behavior of the molecular junction. This finding has important implications for the design of thermoelectric generator devices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Saisai Yuan, Xiaohui Xu, Abdalghani Daaoub, Chao Fang, Wenqiang Cao, Hang Chen, Sara Sangtarash, Jiangwei Zhang, Hatef Sadeghi, Wenjing Hong
Summary: Single-atom control allows for modulation of electrical conductance and thermopower in polyoxometalate clusters, leading to manipulation of charge transport at the single-atom level. This work provides fundamental insight into the tuning of charge transport in POM single-cluster junctions through atomic precision.
Article
Chemistry, Multidisciplinary
Zhichao Pan, Lichuan Chen, Chun Tang, Yong Hu, Saisai Yuan, Tengyang Gao, Jie Shi, Jia Shi, Yang Yang, Wenjing Hong
Summary: The study shows that flicker noise can indicate the evolution of charge transport mechanisms in single-molecule break junction process, with flicker noise components of the molecule junction showing time evolution behavior during dynamic break junction process. Furthermore, the investigation reveals a transition in charge transport mechanism from through-space to through-bond transport during dynamic break junction process, with through-space transport dominating again when the junction is about to rupture.
Article
Chemistry, Multidisciplinary
Ping Zhou, Yanjun Fu, Maolin Wang, Renhui Qiu, Yuwei Wang, J. Fraser Stoddart, Yuping Wang, Hongliang Chen
Summary: Supramolecular electronics use noncovalent interactions like π-π and hydrogen bonding to introduce molecular assemblies into electronic devices. This research demonstrates a strategy for building electronically robust switches using two different noncovalent interactions. By compressing the junction, the single-supermolecule switch is turned ON through π-π interactions dominating the transport. Stretching the junction to form hydrogen-bonded dimers turns the switch OFF, resulting in a dramatic decrease in conductance. The study shows the potential for designing robust bistable mechanoresponsive devices for integrated circuits in microelectromechanical systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Review
Materials Science, Multidisciplinary
Huanyan Fu, Xin Zhu, Peihui Li, Mengmeng Li, Lan Yang, Chuancheng Jia, Xuefeng Guo
Summary: Single-molecule field-effect transistors (FETs) are crucial for future electronic circuits and serve as a unique platform for studying physical mechanisms at the single-molecule level. Designing single-molecule FETs involves focusing on functional molecule design, gate electrode construction, and control of molecule-electrode interface coupling. These FETs not only provide a foundation for practical applications, but also contribute to the exploration of physical laws.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Xiaoxu Zhao, Jingsi Qiao, Xin Zhou, Hao Chen, Jun You Tan, Hongyi Yu, Si Min Chan, Jing Li, Henshui Zhang, Jiadong Zhou, Jiadong Dan, Zhen Liu, Wu Zhou, Zheng Liu, Bo Peng, Longjiang Deng, Stephen John Pennycook, Su Ying Quek, Kian Ping Loh
Summary: Research on twisted homobilayers of transition metal dichalcogenides shows that specific twisted angles can lead to unique optoelectronic properties, with potential for creating intense moire exciton peaks in photoluminescence spectra.
Correction
Chemistry, Physical
Fengyuan Xuan, Su Ying Quek
NPJ COMPUTATIONAL MATERIALS
(2022)
Article
Chemistry, Physical
Wen He, Maxwell T. Wetherington, Kanchan Ajit Ulman, Jennifer L. Gray, Joshua A. Robinson, Su Ying Quek
Summary: Studies have shown that in the system of 2D polar metal-2D Ga covalently bonded to a SiC substrate, low-frequency Raman modes are mainly composed of out-of-phase shear modes in Ga and coupled to SiC phonons. The highest-frequency shear mode exhibits a significant blue-shift with increasing thickness.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Serrae N. Reed-Lingenfelter, Yifeng Chen, Milad Yarali, David J. Charboneau, Julia B. Curley, David J. Hynek, Mengjing Wang, Natalie L. Williams, Nilay Hazari, Su Ying Quek, Judy J. Cha
Summary: The surface functionalization of two-dimensional (2D) material MoS2 with organic electron donors (OEDs) has been successfully achieved using the novel molecular dopant Me-OED, which demonstrates record-breaking molecular doping with significantly higher carrier density compared to other OEDs. The impressive doping power of Me-OED is attributed to its compact size, enabling high surface coverage and molecular interactions with MoS2.
Article
Multidisciplinary Sciences
Yaze Wu, Ibrahim Abdelwahab, Ki Chang Kwon, Ivan Verzhbitskiy, Lin Wang, Weng Heng Liew, Kui Yao, Goki Eda, Kian Ping Loh, Lei Shen, Su Ying Quek
Summary: The recent thrust toward flexible nanoscale devices has created a demand for two-dimensional piezoelectric materials. In this study, the authors found that NbOI2 flakes exhibit a large piezoelectric response, which is independent of thickness and has an electromechanical coupling factor near unity. Laser scanning vibrometer studies verified the huge piezoelectric responses of bulk and few-layer NbOI2 crystals, surpassing other internal references. Insights into the atomic origins of anti-correlated piezoelectric and ferroelectric responses in NbOX2 materials were also provided. This discovery calls for the development of NbOI2-based flexible nanoscale piezoelectric devices.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Stephen E. Gant, Jonah B. Haber, Marina R. Filip, Francisca Sagredo, Dahvyd Wing, Guy Ohad, Leeor Kronik, Jeffrey B. Neaton
Summary: This study investigates the accuracy of the WOT-SRSH functional as a generalized Kohn-Sham starting point for single-shot GW calculations. The results show that G(0)W(0)@WOT-SRSH provides comparable precision and accuracy in computing band gaps to more advanced methods, and improves the description of states deeper in the valence band manifold. Additionally, G(0)W(0)@WOT-SRSH reduces the sensitivity of computed band gaps to ambiguities in the tuning procedure.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Hongrui Zhang, Yu-Tsun Shao, Rui Chen, Xiang Chen, Sandhya Susarla, David Raftrey, Jonathan T. Reichanadter, Lucas Caretta, Xiaoxi Huang, Nicholas S. Settineri, Zhen Chen, Jingcheng Zhou, Edith Bourret-Courchesne, Peter Ercius, Jie Yao, Peter Fischer, Jeffrey B. Neaton, David A. Muller, Robert J. Birgeneau, Ramamoorthy Ramesh
Summary: The emergence of long-range magnetic order in noncentrosymmetric compounds has led to the discovery of a polar magnetic metal with unique spin textures and spin transport phenomena. The study reveals a structural transition and the emergence of a polar phase in a wurtzite-structure polar magnetic metal, which exhibits a Ned-type skyrmion lattice and a Rashba-Edelstein effect at room temperature. This discovery provides a promising new framework for investigating intriguing spin topologies and advancing spintronics.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Ann L. Greenaway, Sijia Ke, Theodore Culman, Kevin R. Talley, John S. Mangum, Karen N. Heinselman, Ryan S. Kingsbury, Rebecca W. Smaha, Melissa K. Gish, Elisa M. Miller, Kristin A. Persson, John M. Gregoire, Sage R. Bauers, Jeffrey B. Neaton, Adele C. Tamboli, Andriy Zakutayev
Summary: Photoelectrochemical fuel generation is a promising method for producing sustainable liquid fuels from water and carbon dioxide using sunlight as the energy input. This study reports on the synthesis and characterization of zinc titanium nitride (ZnTiN2), a photoelectrode material that exhibits self-passivating surface oxides and has both photocatalytic activity and operational stability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Multidisciplinary
Marina R. Filip, Diana Y. Qiu, Mauro Del Ben, Jeffrey B. Neaton
Summary: Interlayer organic cations play a crucial role in tuning the optoelectronic properties of quasi-two-dimensional halide perovskites, and their effects can be controlled by adjusting the dielectric properties.
Article
Chemistry, Physical
Tiancong Zhu, Wei Ruan, Yan-Qi Wang, Hsin-Zon Tsai, Shuopei Wang, Canxun Zhang, Tianye Wang, Franklin Liou, Kenji Watanabe, Takashi Taniguchi, Jeffrey B. Neaton, Alexander Weber-Bargioni, Alex Zettl, Z. Q. Qiu, Guangyu Zhang, Feng Wang, Joel E. Moore, Michael F. Crommie
Summary: The authors used scanning tunnelling microscopy and spectroscopy to study the mirror twin boundaries in single-layer 1H-MoSe2 devices. By adjusting the electron density, they successfully visualized the electronic structure of the mirror twin boundaries and confirmed the presence of density wave excitations and spin-charge separation effects, in agreement with the predictions of the Tomonaga-Luttinger liquid theory.
Article
Chemistry, Physical
Caroline A. A. McKeon, Samia M. M. Hamed, Fabien Bruneval, Jeffrey B. B. Neaton
Summary: The ab initio GW-BSE approach with optimally tuned range-separated hybrids can suppress starting point dependence for molecules, leading to accuracy similar to higher-order wavefunction-based theories.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Aditya Sood, Jonah B. Haber, Johan Carlstrom, Elizabeth A. Peterson, Elyse Barre, Johnathan D. Georgaras, Alexander H. M. Reid, Xiaozhe Shen, Marc E. Zajac, Emma C. Regan, Jie Yang, Takashi Taniguchi, Kenji Watanabe, Feng Wang, Xijie Wang, Jeffrey B. Neaton, Tony F. Heinz, Aaron M. Lindenberg, Felipe H. da Jornada, Archana Raja
Summary: In this study, lattice dynamics in photoexcited WSe2/WS2 heterostructures were directly visualized using femtosecond electron diffraction. It was found that both WSe2 and WS2 were heated simultaneously on a picosecond timescale, which cannot be explained by phonon transport across the interface. First-principles calculations revealed a fast channel involving layer-hybridized electronic states, enabling phonon-assisted interlayer transfer of photoexcited electrons. Phonons were emitted in both layers on the femtosecond timescale via this channel, consistent with the simultaneous lattice heating observed experimentally. Strong electron-phonon coupling via layer-hybridized electronic states was identified as a novel route for controlling energy transport across atomic junctions.
NATURE NANOTECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Jangwon Kim, Youjin Lee, Young Woo Choi, Taek Sun Jung, Suhan Son, Jonghyeon Kim, Hyoung Joon Choi, Je-Geun Park, Jae Hoon Kim
Summary: We conducted a terahertz spectroscopic study and density functional theory analysis on Nb3Cl8 and Nb3I8, two van der Waals semiconductors. The observed infrared-active phonon modes in the terahertz region matched well with our calculations. We found that the phonon spectra of Nb3Cl8 were consistent with a structural transition at 90 K, while Nb3I8 showed no significant temperature or magnetic field dependence in the phonon spectra. Our study establishes a connection between structural properties and paramagnetic-nonmagnetic transitions in these compounds.
Review
Nanoscience & Nanotechnology
Yu Lei, Tianyi Zhang, Yu-Chuan Lin, Tomotaroh Granzier-Nakajima, George Bepete, Dorota A. Kowalczyk, Zhong Lin, Da Zhou, Thomas F. Schranghamer, Akhil Dodda, Amritanand Sebastian, Yifeng Chen, Yuanyue Liu, Geoffrey Pourtois, Thomas J. Kempa, Bruno Schuler, Mark T. Edmonds, Su Ying Quek, Ursula Wurstbauer, Stephen M. Wu, Nicholas R. Glavin, Saptarshi Das, Saroj Prasad Dash, Joan M. Redwing, Joshua A. Robinson, Mauricio Terrones
Summary: Since the isolation of graphene in 2004, research on two-dimensional materials has rapidly evolved into an independent field in the physical sciences. By controlling factors such as layer number, defects, and morphology, it is possible to tailor and functionalize these materials. This review highlights the latest discoveries and discusses the challenges and opportunities in this fascinating field.
ACS NANOSCIENCE AU
(2022)
Correction
Multidisciplinary Sciences
X. Yin, Y. Zang, L. Zhu, J. Z. Low, Z. F. Liu, J. Cui, J. B. Neaton, L. Venkataraman, L. M. Campos
