Article
Multidisciplinary Sciences
Alex Inayeh, Ryan R. K. Groome, Ishwar Singh, Alex J. Veinot, Felipe Crasto de Lima, Roberto H. Miwa, Cathleen M. Crudden, Alastair B. McLean
Summary: N-heterocyclic carbenes (NHCs) have emerged as a promising alternative to sulfur-based ligands for self-assembly on gold surfaces, but there are still many unanswered questions about their behavior on surfaces. This study examines fundamental questions such as NHC orientation, mobility, and self-assembly by analyzing NHC overlayers on Au(111).
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Lukas Grossmann, Eva Ringel, Atena Rastgoo-Lahrood, Benjamin T. King, Johanna Rosen, Wolfgang M. Heckl, Dorina Opris, Jonas Bjoerk, Markus Lackinger
Summary: Currently, there is limited research on the self-assembly of three-dimensional molecules on surfaces. These molecules have a greater variability in their modes of adsorption compared to (nearly) planar molecules. This variability can significantly affect the expression of intermolecular binding motifs and the formation of supramolecular structures. The study found that molecule-surface interactions can be tuned to facilitate crystal engineering in two dimensions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Engineering, Chemical
Wan-Tzu Yen, Ke-Hsuan Wang, Masaaki Yoshida, Murugesan Balamurugan, Takeshi Kawai, Shanmugamathan Venkatesan, Yuh-Lang Lee
Summary: In this study, dodecylamine is used as a model molecule to investigate its self-assembly behavior on an Au surface. The results show weak interaction and slow adsorption of DDA with the gold surface, with molecules arranged in a flat-lying orientation.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2021)
Article
Chemistry, Multidisciplinary
Andreas Frank, Christian Hils, Melina Weber, Klaus Kreger, Holger Schmalz, Hansooo-Werner Schmidt
Summary: By matching the functional groups of the surface patches on polymer fibers with the corresponding substituents of BTAs, specific superstructures can be induced.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Ana Barragan, Tomas Nicolas-Garcia, Koen Lauwaet, Ana Sanchez-Grande, Jose Urgel, Jonas Bjork, Emilio M. Perez, David Ecija
Summary: Nanocars are carbon-based single-molecules that can be precisely controlled on a surface at the atomic scale. The design of these molecules plays a crucial role in advancing the development of molecular machines and understanding self-assembly and other processes. In this study, we present the design and construction of a collection of minimalistic nanocars featuring an anthracene chassis and benzene derivatives as wheels. By using a scanning tunneling microscope (STM) tip to induce a dipole in the nanocar, we were able to manipulate it along the surface, achieving controlled and rapid displacement. The use of carbon monoxide functionalized tips prevented decomposition and accidental picking up of the nanocars during manipulation, leading to our success in the Nanocar Race II championship.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Jose Abad, Jose I. Martinez, Paula Gomez, Miriam Mas-Montoya, Luis Rodriguez, Albano Cossaro, Alberto Verdini, Luca Floreano, Jose A. Martin-Gago, David Curiel, Javier Mendez
Summary: The control of molecular structures at the nanoscale is crucial for material and application development. The adsorption of a polyheteroaromatic molecule on Au(111) has been studied, revealing the formation of highly organized linear structures due to intermolecular hydrogen bonding. Different arrangements, including extended brick-wall and herringbone packing, were observed. Comprehensive experimental and theoretical characterizations were conducted to study the 2D hydrogen-bonded domains and the on-surface thermal stability of the physisorbed material.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Iris Berg, Luca Schio, Justus Reitz, Elena Molteni, Linoy Lahav, Carolina Gutierrez Bolanos, Andrea Goldoni, Cesare Grazioli, Guido Fratesi, Max M. Hansmann, Luca Floreano, Elad Gross
Summary: In this study, the self-assembly of N-heterocyclic olefins (NHOs) on gold surface was investigated using experimental and computational methods. It was found that NHOs can self-assemble into dimers, trimers, and tetramers, forming stable monolayers. The study also revealed that NHOs can adsorb on gold surface in a flat-lying geometry through coordination with gold adatoms, and the surface interaction can be further increased by functionalizing the backbone with methyl groups, leading to enhanced thermal stability and impact on work-function values.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Electrochemistry
Johannes M. Hermann, Heiko Mueller, Layal Daccache, Christiane Adler, Sarah Keller, Martin Metzler, Timo Jacob, Ludwig A. Kibler
Summary: The study investigated the formic acid oxidation reaction on Au(111) electrodes modified by a self-assembled monolayer of 4-mercaptopyridine. It found that the adsorption of 4,4'-dithiodipyridine on the electrodes significantly enhanced the electrocatalytic activity for FAOR. Various parameters such as the position of pyridine nitrogen, adsorption of SAM molecules, and availability of free gold sites exerted distinct effects on the formic acid oxidation reaction, resulting in different levels of enhancement of electrocatalytic activity.
ELECTROCHIMICA ACTA
(2021)
Article
Chemistry, Multidisciplinary
Hanlin Shen, Yuanqi Ding, Donglin Li, Wei Xu
Summary: Amino acids offer unique advantages for two-dimensional materials and bio-based devices. The interaction and adsorption of amino acid molecules on substrates have been extensively studied, aiming to understand the driving forces behind the formation of nanostructures. However, the interactions within amino acid molecules on inert surfaces have not been fully understood.
Article
Chemistry, Physical
Xiao-Qi Sun, Ai-Min Ren, Gui-Ya Qin, Heng-Yu Jin, Rui Wang, Jian-Xun Fan, Hui Li, Jing-Fu Guo
Summary: High mobility is an important metric in the study of organic semiconductor materials (OSCs), and pressure has the potential to influence the mobility of OSCs. This study predicts the effect of pressure on charge-transport properties in different stacking patterns of organic molecules and finds that pressure can enhance or decrease mobility depending on the stacking pattern. Additionally, pressure control can convert a p-type transport material into an n-type transport material, offering valuable insights for achieving enhanced performance of OSCs.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Djuro Bikaljevic, Carmen Gonzalez-Orellana, Marina Pena-Diaz, Dominik Steiner, Jan Dreiser, Pierluigi Gargiani, Michael Foerster, Miguel Angel Nino, Lucia Aballe, Sandra Ruiz-Gomez, Niklas Friedrich, Jeremy Hieulle, Li Jingcheng, Maxim Ilyn, Celia Rogero, Jose Ignacio Pascual
Summary: Metal dihalides, such as NiBr2, exhibit promising semiconducting and magnetic behavior on Au(111) substrates, showing potential for applications in tunneling junctions and low-dimensional devices. Experiments using various techniques revealed competing layer structures of NiBr2 at the interface, with a magnetically ordered state below 27K attributed to a non-collinear magnetic structure in the single layer.
Article
Chemistry, Physical
Sebastian Schneider, Kushtrim Bytyqi, Stephan Kohaut, Patrick Buegel, Benjamin Weinschenk, Michael Marz, Amina Kimouche, Karin Fink, Regina Hoffmann-Vogel
Summary: The self-assembly behavior of DBBA molecules on Au(111) was investigated using FM-SFM and ab initio calculations. It was found that the assembly morphology of the molecules changes with increasing coverage, and different phases coexist at intermediate coverage. Additionally, the adsorption behavior and interactions of the molecules were discussed and compared with the results from ab initio calculations.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Andreas Jeindl, Jari Domke, Lukas Hoermann, Falko Sojka, Roman Forker, Torsten Fritz, Oliver T. Hofmann
Summary: The fabrication of nanomaterials involves self-organization processes of functional molecules on inorganic surfaces. By equipping molecules with functional groups, specific molecular arrangements can be obtained. However, the complexities of processes at interfaces can lead to unexpected structures, as shown in the example of a series of quinones on Ag(111). The study reveals a nonintuitive interplay of important interaction mechanisms, challenging the design of functional interfaces despite the ability to devise design principles for self-assembly of functionalized molecules.
Article
Chemistry, Physical
Riku Muneyasu, Takashi Yamada, Megumi Akai-Kasaya, Hiroyuki S. Kato
Summary: Investigation of heterogeneous bilayer self-assembly on Au substrates revealed that the formation of a bilayer stratified by H bonds and Au-S bonds is flexible and adaptable.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Matthew Edmondson, Eleanor S. Frampton, Chris J. Judd, Neil R. Champness, Robert G. Jones, Alex Saywell
Summary: A thermally induced order-disorder transition of 2H-TPP on Au(111) was investigated using scanning probe microscopy and X-ray photoelectron spectroscopy. The transition from an ordered close-packed phase to a disordered diffuse phase was found to be correlated with an on-surface cyclodehydrogenation reaction, and further heating of the diffuse phase resulted in the formation of a distinct nitrogen environment indicative of the Au-TPP species.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Kwan Ho Au-Yeung, Suchetana Sarkar, Tim Kuhne, Oumaima Aiboudi, Dmitry A. Ryndyk, Roberto Robles, Nicolas Lorente, Franziska Lissel, Christian Joachim, Francesca Moresco
Summary: Depending on its adsorption conformation, a zwitterionic single-molecule machine can act as a unidirectional rotor or a fast-drivable molecule vehicle (nanocar) on the Au(111) surface. The conformation can be selected by tuning the surface coverage. The inelastic tunneling excitation plays a role in both the rotation of the rotor and the movement of the nanocar under bias voltage pulses.
Review
Chemistry, Physical
Jinbo Pang, Songang Peng, Chongyang Hou, Xiao Wang, Ting Wang, Yu Cao, Weijia Zhou, Ding Sun, Kai Wang, Mark H. Ruemmeli, Gianaurelio Cuniberti, Hong Liu
Summary: In this review, the applications of MXene in sensors and actuators are discussed. MXene-based films, membranes, and composites are used to simulate the five primary human senses and stimulate muscles. MXene is utilized in image sensors, gas sensors, chemical biosensors, acoustic devices, and tactile sensors for electronic skin, as well as in MXene-based actuators. The future opportunities for MXene research in artificial intelligence and humanoid robots are also presented.
Article
Nanoscience & Nanotechnology
Anna Kulis-Kapuscinska, Monika Kwoka, Michal Adam Borysiewicz, Tomasz Wojciechowski, Nadia Licciardello, Massimo Sgarzi, Gianaurelio Cuniberti
Summary: The photocatalytic degradation of methylene blue (MB) in wastewater using ZnO nanostructured porous thin films was studied. The SEM analysis revealed the presence of a coral reef structure on the surface of the ZnO thin films, which increased in size after the photocatalytic experiments. The XPS analysis showed slight non-stoichiometry and the presence of carboxyl and carbonyl functional groups after the photodegradation of MB.
Review
Chemistry, Multidisciplinary
Yufen Li, Shirong Huang, Songang Peng, Hao Jia, Jinbo Pang, Bergoi Ibarlucea, Chongyang Hou, Yu Cao, Weijia Zhou, Hong Liu, Gianaurelio Cuniberti
Summary: The Internet of Things era has driven research on sensors, communications, data fusion, and actuators. MXene-based sensors have gained significant interest for their outstanding performance. This review introduces the properties of MXenes and discusses sensors based on electronic, electrochemical, and optical methods. The potential of multimodal data fusion and future opportunities for MXene research are also highlighted.
Article
Physics, Applied
Shirong Huang, Alexander Croy, Antonie Louise Bierling, Vyacheslav Khavrus, Luis Antonio Panes-Ruiz, Arezoo Dianat, Bergoi Ibarlucea, Gianaurelio Cuniberti
Summary: Olfaction is an ancient sensory system that provides detailed information about the environment. Artificial olfaction aims to mimic the biological sense of smell and digitize it. In this study, machine learning-enabled graphene-based electronic olfaction sensors were developed and their olfactory performance towards VOCs was assessed. The sensors exhibited high performance in odor detection, discrimination, and identification, and showed similar response patterns to individual odors in binary odor mixtures.
APPLIED PHYSICS REVIEWS
(2023)
Article
Biophysics
Soroush Laleh, Bergoi Ibarlucea, Marlena Stadtmueller, Gianaurelio Cuniberti, Mariana Medina-Sanchez
Summary: Pandemics like the current one require simple and reliable methods for early diagnosis of viruses, which can detect low pathogen loads before symptoms appear. The standard PCR method is slow, expensive, and not easily accessible. Therefore, there is a need for miniaturized and portable sensors for early pathogen detection. In this study, a microfluidic impedance biosensor was developed for direct detection of SARS-CoV-2, optimized for accurate detection using electrochemical impedance spectroscopy (EIS). The biosensor was validated using buffer samples and real patient samples, and its versatility was demonstrated with different settings, including a portable potentiostat and smartphone-based readout. This work contributes to rapid and reliable COVID-19 diagnostics and can be extended to monitor viral load in vaccinated and unvaccinated individuals.
BIOSENSORS & BIOELECTRONICS
(2023)
Article
Chemistry, Physical
Mohammad Khazaei, Soungmin Bae, Rasoul Khaledialidusti, Ahmad Ranjbar, Hannu-Pekka Komsa, Somayeh Khazaei, Mohammad Bagheri, Vei Wang, Yasuhide Mochizuki, Mitsuaki Kawamura, Gianaurelio Cuniberti, S. Mehdi Vaez Allaei, Kaoru Ohno, Hideo Hosono, Hannes Raebiger
Summary: MAX phases are layered non-van der Waals materials composed of stacking hexagonal layers of transition metal (M), a group III-VI element(A), and carbon or nitrogen (X). Through high-throughput calculations, 761 dynamically stable MAX phases have been identified, with 466 structures potentially synthesizable. To discover new structural phases, 361 MAX systems with dynamical instabilities were investigated, leading to the discovery of novel superlattices by reconstructing the triangular lattice of A-atoms into 0D-clusters, quasi-1D-chains, or creating 2D Haeckelite or Kagome-like lattices. This work introduces a new approach to discovering novel MAX phases from conventional structures without element alloying.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Alvaro Rodriguez Mendez, Arezoo Dianat, Leonardo Medrano Sandonas, Rafael Gutierrez, Gianaurelio Cuniberti
Summary: In this study, the electronic properties of phosphorene monolayers functionalized with hydroxyl and cysteine molecules were investigated using spin-polarized density-functional theory. It was found that functionalization not only induced electronic states within the semiconducting gap, but also resulted in local magnetism. The ferro- or anti-ferromagnetic ground states could be obtained depending on molecular coverage, lattice direction, and molecular chirality. Functionalized phosphorene monolayers were proposed as bipolar magnetic semiconductors based on the obtained spin-dependent band structures. The electronic parameters used to characterize bipolar magnetic semiconductors became increasingly distinct with increasing surface coverage, suggesting a possible route for designing such materials via targeted molecular functionalization.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Review
Chemistry, Analytical
Alexandra Parichenko, Shirong Huang, Jinbo Pang, Bergoi Ibarlucea, Gianaurelio Cuniberti
Summary: Inspired by biological noses, e-noses imitate them by using gas sensor arrays to detect and identify surrounding gases and volatile compounds. Two-dimensional materials have shown remarkable sensitivity at room temperature, addressing energy efficiency and sensitivity issues. This review highlights advancements in the development of e-noses, including transduction mechanisms and deposition methods for two-dimensional materials. Artificial intelligence tools are discussed for smart data analysis to overcome selectivity limitations.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Alexandra Parichenko, Wonyeong Choi, Seonghwan Shin, Marlena Schlecht, Rafael Gutierrez, Teuku Fawzul Akbar, Carsten Werner, Jeong-Soo Lee, Bergoi Ibarlucea, Gianaurelio Cuniberti
Summary: The COVID-19 outbreak has driven advancements in biosensor technology, particularly in the use of nanostructured field-effect transistors for virus detection. However, these biosensors have been limited in their ability to analyze biofluids with high ionic strength. To address this challenge, a solution involving surface modification of FETs with a hydrogel loaded with antibodies against the SARS-CoV-2 spike protein is presented. This approach effectively increases the effective Debye length, preserving sensitivity in biofluids.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Multidisciplinary Sciences
Suchetana Sarkar, Kwan Ho Au-Yeung, Tim Kuehne, Albrecht Waentig, Dmitry A. Ryndyk, Thomas Heine, Gianaurelio Cuniberti, Xinliang Feng, Francesca Moresco
Summary: We investigated a prochiral thiophene-based molecule that self-assembles on the Au(111) surface forming islands with different domains using low temperature scanning tunneling microscopy. Two different conformations of the single molecule were observed in the domains, depending on the rotation of bromothiophene groups. By applying voltage pulses from the tip, single molecules could be switched between the two conformations. Scanning tunneling spectroscopy revealed that electronic resonances were mainly localized at the same positions in both conformations. Density-functional theory calculations supported the experimental findings. Moreover, we found that on Ag(111), only one configuration was present and the switching effect was suppressed.
SCIENTIFIC REPORTS
(2023)
Article
Computer Science, Artificial Intelligence
Wenqi Wang, Run Wang, Lina Wang, Zhibo Wang, Aoshuang Ye
Summary: Deep neural networks have achieved remarkable success in various tasks, but they are vulnerable to adversarial examples in both image and text domains. Adversarial examples in the text domain can evade DNN-based text analyzers and pose threats to the spread of disinformation. This paper comprehensively surveys the existing studies on adversarial techniques for generating adversarial texts and the corresponding defense methods, aiming to inspire future research in developing robust DNN-based text analyzers against known and unknown adversarial techniques.
IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Andrei Mitrofanov, Yonder Berencen, Elaheh Sadrollahi, Regine Boldt, David Bodesheim, Hendrik Weiske, Fabian Paulus, Jochen Geck, Gianaurelio Cuniberti, Agnieszka Kuc, Brigitte Voit
Summary: We investigated the structures and properties of a series of low-dimensional hybrid organic-inorganic perovskites based on naphthalene ammonium cations, 2,6-diaminonaphthalene (2,6-DAN), 1-aminonaphthalene (1-AN), and 2-aminonaphthalene (2-AN). These materials exhibit edge- or face-sharing 1D chain structures. Compared to the 2D counterpart containing isomeric 1,5-diaminonaphthalene (1,5-DAN), the 1D hybrid materials exhibit broadband light emission arising from the self-trapped excitons (STEs) owing to their highly distorted structure. This work expands the library of low-dimensional hybrid perovskites and opens new possibilities for obtaining broadband-light-emitting materials.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Jiao Wang, Nadia Licciardello, Massimo Sgarzi, Gianaurelio Cuniberti
Summary: In this study, multifunctional nanocomposites were used to remove a mixture of pollutants from water. The nanocomposites demonstrated both adsorption capacity and photodegradation activity towards different pollutants, such as dyes and antibiotics. The order of addition did not affect the removal efficiency, indicating the versatility of the nanocomposites.
NANOSCALE ADVANCES
(2023)
Proceedings Paper
Computer Science, Artificial Intelligence
Luis Antonio Panes-Ruiz, Shirong Huang, Leif Riemenschneider, Alexander Croy, Bergoi Ibarlucea, Gianaurelio Cuniberti
Summary: Breath analysis is an emerging diagnostic technique that requires highly sensitive and selective detection methods. Surface functionalization with gold nanoparticles and machine learning algorithms are two important approaches that can improve the performance and analytical efficiency of gas sensors.
ADVANCES IN SYSTEM-INTEGRATED INTELLIGENCE, SYSINT 2022
(2023)
