Article
Chemistry, Multidisciplinary
Andres Rodriguez-Galvan, Mitzi Reyes, Marisol Avila-Cruz, Margarita Rivera, Vladimir A. Basiuk
Summary: The functionalization of AuNPs with various biological elements was explored for potential biomedical applications such as drug delivery, vaccine development, sensing, and imaging. The study demonstrated the reliable functionalization of AuNPs using biomolecules and highlighted the importance of scanning tunneling microscopy in analyzing biofunctionalized AuNPs.
Article
Materials Science, Coatings & Films
Kennedy P. S. Boyd, Emily A. Cook, Maria A. Paszkowiak, Erin V. Iski
Summary: The study showed that the presence of an Ag monolayer can drastically alter the interactions between amino acids and surfaces, leading to surface roughening despite the chemical similarity of Au and Ag. This research highlights the ability of Ag thin films to markedly change surface chemistry under extremely mild conditions.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2021)
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
Yi-Ying Sung, Harmina Vejayan, Christopher J. Baddeley, Neville V. Richardson, Federico Grillo, Renald Schaub
Summary: On-surface synthesis with designer precursor molecules is an effective method for preparing graphene nanoribbons (GNRs) with tunable electronic properties. The band gap of GNRs doped with heteroatoms remains unchanged, but hydrogenation can engineer a tunable band gap. Surface-confined hydrogenation studies on 7-armchair GNRs grown on Au(111) surfaces reveal a self-limited hydrogenation process. The electronic properties of the GNR/Au(111) system can be modified by edge and basal-plane hydrogenation, and a mechanism for the hydrogenation process is proposed.
Article
Chemistry, Physical
Karsten Lucht, Karina Morgenstern
Summary: The study reveals that functionalized azobenzene molecules form water-azobenzene complexes in the presence of water, which prefer linear arrangements mediated by functionalized end groups. These complexes can serve as model systems for investigating the influence of a solvent on surface reactions.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Yunyan Zhang, H. Aruni Fonseka, Hui Yang, Xuezhe Yu, Pamela Jurczak, Suguo Huo, Ana M. Sanchez, Huiyun Liu
Summary: Embedding quantum dots on nanowire sidewalls enhances light emission/absorption, but the curved surface of nanowires makes growth challenging. The {110} sidewall facets of self-catalyzed nanowires favor 2D growth, making 3D growth difficult. In this study, a novel thermally-driven growth method was developed, which allows defect-free growth of lattice-matched Ge dots on the sidewall facets of thin self-catalyzed GaAs nanowires without surfactant or surface treatment. This method opens up new possibilities for integrating quantum dots on nanowires and enables growth in materials systems where traditional mechanisms are not possible.
NANOSCALE HORIZONS
(2022)
Article
Multidisciplinary Sciences
Alexander Kerelsky, Carmen Rubio-Verdu, Lede Xian, Dante M. Kennes, Dorri Halbertal, Nathan Finney, Larry Song, Simon Turkel, Lei Wang, Kenji Watanabe, Takashi Taniguchi, James Hone, Cory Dean, Dmitri N. Basov, Angel Rubio, Abhay N. Pasupathy
Summary: This study demonstrates the formation of emergent correlated phases in multilayer rhombohedral graphene without the need for twisted van der Waals layers. The study shows that two layers of bilayer graphene twisted by a tiny angle can host large regions of uniform rhombohedral four-layer graphene with a sharp van Hove singularity. Furthermore, the study suggests that the broken symmetry state in ABCA graphene could be attributed to a charge-transfer excitonic insulator or a ferrimagnet.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Physical
V. Carnevali, A. Sala, P. Biasin, M. Panighel, G. Comelli, M. Peressi, C. Africh
Summary: The electronic properties of graphene can be modified by local interaction with a metal substrate. This article proposes a reliable method of evaluating the interaction between graphene and substrate by testing the tunneling current. This method expands the capabilities of standard STM systems for studying graphene/substrate complexes.
Article
Chemistry, Multidisciplinary
Nico Balzer, Jan Lukasek, Michal Valasek, Vibhuti Rai, Qing Sun, Lukas Gerhard, Wulf Wulfhekel, Marcel Mayor
Summary: The study found that adding pyrrolidinyl group can enhance the fluorescence of NDI chromophores and cause a significant redshift in their absorption spectrum, resulting in a narrower bandgap. By using cyclic voltammetry, it was revealed that the redox properties of NDIs are influenced by core substituents, and the adsorption behavior of NDIs on a gold surface was observed.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Daniel J. Rizzo, Sara Shabani, Bjarke S. Jessen, Jin Zhang, Alexander S. McLeod, Carmen Rubio-Verdu, Francesco L. Ruta, Matthew Cothrine, Jiaqiang Yan, David G. Mandrus, Stephen E. Nagler, Angel Rubio, James C. Hone, Cory R. Dean, Abhay N. Pasupathy, D. N. Basov
Summary: The researchers successfully created nanometer-scale lateral p-n junctions using graphene/alpha-RuCl3 heterostructure near graphene nanobubbles. Through STM/STS and s-SNOM techniques, they investigated the electronic and optical responses of nanobubble p-n junctions, achieving p-n junctions with a width of around 3 nm and an electric field of approximately 10(8) V/m. The study also utilized ab initio density functional theory calculations to corroborate experimental data and provide insights into charge transfer mechanisms in 2D materials.
Article
Crystallography
Sergey Yu. Sarvadii, Andrey K. Gatin, Nadezhda V. Dokhlikova, Vasiliy A. Kharitonov, Sergey A. Ozerin, Sergey V. Doronin, Maxim V. Grishin, Boris R. Shub
Summary: The study investigated the hydrogenation characteristics of gold nanoparticles and synthesized composite nanostructures consisting of pure and hydrogenized gold. The results showed that there was no hydrogen dissolution in the gold nanoparticles, and all changes in electronic structure were associated with surface processes.
Review
Chemistry, Multidisciplinary
Wenbing Peng, Haolin Wang, Hui Lu, Lei Yin, Yue Wang, Bruno Grandidier, Deren Yang, Xiaodong Pi
Summary: Understanding the band alignment, interface states, interface coupling, and carrier transport properties of semiconductor heterojunctions (SHs) is crucial for designing and fabricating semiconductor structures and devices. STM and STS have played significant roles in studying the properties of SHs, such as spatial structures and electronic band structures, to propose mechanisms for carrier transport.
Article
Physics, Multidisciplinary
M. Omidian, J. Brand, N. Neel, S. Crampin, J. Kroeger
Summary: Epitaxially grown Fe nanostructures on Pb(111) were studied using low-temperature scanning tunneling microscopy and spectroscopy. The Fe assemblies were categorized into two groups based on their electronic behavior near the Fermi energy. One group exhibited a metallic behavior with a wide energy gap of 0.7 eV that remained temperature-independent. These Fe islands lacked the superconductivity proximity effect in their interior. The other group displayed a metallic behavior at the Fermi level, with the substrate superconducting phase locally entering these islands, evidenced by sharp resonance at the Fermi energy indicating possible Andreev reflection at the magnet-superconductor interface.
NEW JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Meng-Kai Lin, Guan-Hao Chen, Ciao-Lin Ho, Wei-Chen Chueh, Joseph Andrew Hlevyack, Chia-Nung Kuo, Tsu-Yi Fu, Juhn-Jong Lin, Chin Shan Lue, Wen-Hao Chang, Noriaki Takagi, Ryuichi Arafune, Tai-Chang Chiang, Chun-Liang Lin
Summary: Monolayer transition metal dichalcogenides show tunability in electronic properties, with bandgap modulation possible through control of tunneling current. Monolayer PtTe2 exhibits a reversible semiconductor-to-metal transition at moderate tunneling current, attributed to its surface electronic structure coupling with the tunneling tip.
Article
Nanoscience & Nanotechnology
Regina M. Kluge, Eleftherios Psaltis, Richard W. Haid, Shujin Hou, Thorsten O. Schmidt, Oliver Schneider, Batyr Garlyyev, Federico Calle-Vallejo, Aliaksandr S. Bandarenka
Summary: This study uses EC-STM technique to investigate the ORR active areas of Pt5Gd and Pt5Pr in acidic media, and finds that compressed Pt-lanthanide (111) terraces contribute the most to the overall activity.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Electrochemistry
E. M. Gavilan-Arriazu, M. P. Mercer, O. A. Pinto, O. A. Oviedo, D. E. Barraco, H. E. Hoster, E. P. M. Leiva
JOURNAL OF SOLID STATE ELECTROCHEMISTRY
(2020)
Article
Chemistry, Physical
Rebecca Pittkowski, Spyridon Divanis, Mariana Klementova, Roman Nebel, Shahin Nikman, Harry Hoster, Sanjeev Mukerjee, Jan Rossmeisl, Petr Krtil
Summary: Rational optimization of OER activity of catalysts based on LaNiO3 oxide is achieved by maximizing the presence of trivalent Ni in the surface structure. Theoretical predictions of high intrinsic OER activity structures related to LaNiO3 catalysts have been confirmed through the preparation of nanocrystalline LaNiO3-related materials. These materials show a dramatic improvement in OER activity and exhibit stable exfoliated surfaces in OER catalysis.
Article
Electrochemistry
Shahin Nikman, Dongni Zhao, Violeta Gonzalez-Perez, Harry H. Hoster, Stijn F. L. Mertens
Summary: The longevity of lithium-ion batteries is affected by the rate of chemical and electrochemical side reactions, particularly the dissolution of transition metals from the cathode. The behavior of Mn during dissolution is influenced by surface versus bulk structure effects, electrode potential, and the degree of lithiation. Proper potential conditioning of electrodes may reduce dissolution and serve as an effective measure for battery protection.
ELECTROCHIMICA ACTA
(2021)
Editorial Material
Chemistry, Physical
Albert K. Engstfeld, Harry Hoster, Olaf M. Magnussen
Article
Chemistry, Physical
Edgardo M. Gavilan-Arriazu, Michael P. Mercer, Daniel E. Barraco, Harry E. Hoster, Ezequiel P. M. Leiva
Summary: Recent experimental research has addressed the electrochemical Li-ion intercalation in individual nanosized particles, providing a transparent 2-dimensional zone diagram representation for rapid diagnosis of system reversibility and diffusion length. The model framework elucidates the heterogeneous behavior of nanosized particles with similar sizes but different shapes, presenting an outlook for realistic multiscale modeling of real materials.
Article
Chemistry, Physical
Michael Peter Mercer, Sam Affleck, Edgardo Maximiliano Gavilan-Arriazu, Alana Aragon Zulke, Philip A. Maughan, Shivam Trivedi, Maximilian Fichtner, Anji Reddy Munnangi, Ezequiel P. M. Leiva, Harry Ernst Hoster
Summary: Sodium-ion batteries, using cheaper materials, have potential for large-scale applications. Hard carbon, as the preferred anode material, lacks clear structural features for optimizing cell performance. Using entropy profiling, we reveal hidden features in hard carbon.
Article
Electrochemistry
Alana Zulke, Ivan Korotkin, Jamie M. Foster, Mangayarkarasi Nagarathinam, Harry Hoster, Giles Richardson
Summary: In this study, the predictive power of a parametrised DFN model for a commercial cylindrical NCA/Gr-SiOx lithium-ion cell was demonstrated. The model parameters were determined by deconstructing a fresh commercial cell and conducting electrochemical experiments. The simulations accurately predicted voltage profiles for galvanostatic discharge and drive-cycles, with deviations from measured results staying within 1%-3%. This work also introduced a novel simplified parametrisation workflow for accurately calibrating an electrochemical cell model.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Electrochemistry
Malgorzata E. Wojtala, Alana A. Zulke, Robert Burrell, Mangayarkarasi Nagarathinam, Guanchen Li, Harry E. Hoster, David A. Howey, Michael P. Mercer
Summary: This study used entropy profiling to track aging markers in graphite-silicon blend negative electrodes, revealing cycling direction-dependent entropy differences and an increase in entropy hysteresis with age.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2022)
Review
Energy & Fuels
Lucy M. Morgan, Michael P. Mercer, Arihant Bhandari, Chao Peng, Mazharul M. Islam, Hui Yang, Julian Holland, Samuel W. Coles, Ryan Sharpe, Aron Walsh, Benjamin J. Morgan, Denis Kramer, M. Saiful Islam, Harry E. Hoster, Jacqueline Sophie Edge, Chris-Kriton Skylaris
Summary: Computational modeling plays a vital role in battery research, allowing for prediction of new behaviors, explanation of structure-property relationships, and guidance of material design strategies and libraries.
PROGRESS IN ENERGY
(2022)
Article
Chemistry, Multidisciplinary
Tugce Kutlusoy, Spyridon Divanis, Rebecca Pittkowski, Riccardo Marina, Adrian M. Frandsen, Katerina Minhova-Macounova, Roman Nebel, Dongni Zhao, Stijn F. L. Mertens, Harry Hoster, Petr Krtil, Jan Rossmeisl
Summary: The main challenge for acidic water electrolysis is the lack of active and stable oxygen evolution catalysts based on abundant materials. This work presents a new design strategy for activating stable materials, deemed unsuitable due to their semiconducting nature. By adding both n-type and p-type dopants, the reactivity of the catalyst can be tuned to allow for oxygen adsorption and desorption under reaction conditions. Experimental verification on TiO2 suggests that co-substitution can be used to activate stable materials for acid water electrolysis catalysts.
Review
Energy & Fuels
E. M. Gavilan-Arriazu, M. P. Mercer, D. E. Barraco, H. E. Hoster, E. P. M. Leiva
Summary: Kinetic Monte Carlo (kMC) has been a significant simulation tool for Li-ion batteries research since 1994. Despite its advantages, its full potential in the field of lithium-ion batteries has not yet been fully utilized, but its impact is growing exponentially.
PROGRESS IN ENERGY
(2021)
Article
Electrochemistry
Alana Zulke, Yi Li, Peter Keil, Robert Burrell, Sacha Belaisch, Mangayarkarasi Nagarathinam, Michael P. Mercer, Harry E. Hoster
Summary: The study reveals that different states of charge (SoC) have distinct impacts on the capacity fade of commercial lithium-ion cells, with noticeable differences in degradation rates for SoC values below and above 60%. Additionally, the storage state of the cells at different temperatures also affects the degradation rate.
BATTERIES & SUPERCAPS
(2021)
Article
Chemistry, Physical
Michael Peter Mercer, Chao Peng, Cindy Soares, Harry Ernst Hoster, Denis Kramer
Summary: The study reveals that graphite in Li-ion batteries exhibits hysteresis in OCV between charge and discharge processes, and that OCV is actually history dependent. A residual hysteresis is identified through first-principles calculations and temperature-controlled electrochemical measurements, showing differences in phase succession and Li disorder across planes. This residual hysteresis persists even at elevated temperatures and is associated with different host lattice stackings of carbon.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Electrochemistry
Robert Burrell, Alana Zulke, Peter Keil, Harry Hoster
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2020)
Article
Electrochemistry
Alana Zulke, Yi Li, Peter Keil, Harry Hoster
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2019)
