Article
Chemistry, Physical
Kangmo Yeo, Sukmin Jeong
Summary: The growth of monolayer h-BN on Pt(111) from boron and nitrogen atoms was studied using molecular dynamics with machine-learning potentials trained using first-principles data. A Y-shaped node formed around boron during the growth process, which then transformed into a quadrangular ring and eventually the hexagonal ring structure of h-BN. Pt atoms emerged from the substrate and contributed to the fusion of BN clusters. Increasing the number of deposited nitrogen atoms and cooling the substrate improved the quality of the formed h-BN. This study suggests that high-quality h-BN on Pt(111) forms through a combination of surface-mediated growth and boron precipitation due to cooling.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Wenhao Sha, Xuan Dai, Siyu Chen, Fenglin Guo
Summary: This study explores the phonon thermal transport properties in graphene/h-BN superlattice monolayers using different methods and finds a transition from coherent to incoherent transport with increasing periodic length, as well as the existence of a minimum thermal conductivity.
DIAMOND AND RELATED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Jianmei Huang, Qiang Wang, Pengfei Liu, Guang-hui Chen, Yanhui Yang
Summary: The study demonstrated that the interaction strength and interface distance of Gr/h-BN/metal can be tuned by regulating the chemical composition of the surface alloy. The absorption behavior of graphene on h-BN/Cu(111)-Ni and h-BN/Ni(111)-Cu interfaces varied significantly with different Ni/Cu atomic percentages.
Article
Chemistry, Physical
Seokjun Kim, Byeongwan Kim, Seonha Park, Won Seok Chang, Haeyong Kang, Seokho Kim, Habeom Lee, Songkil Kim
Summary: The electrical transport properties of graphene field-effect transistors (FETs) can be greatly enhanced when graphene is supported by a high-quality hexagonal boron nitride (h-BN) layer. Chemical vapor deposition (CVD) grown h-BN can have surface defects and impurities, which result in different electrical transport properties compared to mechanically exfoliated h-BN layers. Surface defects and impurities on the supporting h-BN layer induce p-doping and hysteresis in h-BN/graphene/h-BN FETs, which can be controlled by modulating a back-gate voltage. The presence of these defects and impurities allows for dynamic modulation of electrical charge states, making them useful for memristive devices or sensors.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Daniel Moreno, Borja Cirera, Sofia O. Parreiras, Jose Urgel, Nelson Gimenez-Agullo, Koen Lauwaet, Jose M. Gallego, Jose R. Galan-Mascaros, Jose Martinez, Pablo Ballester, Rodolfo Miranda, David Ecija
Summary: Interest in exploiting the unique properties of lanthanides has led to the recent design of two-dimensional coordination networks incorporating f-block elements on metallic surfaces. To electronically decouple these structures from the metallic surface underneath, dysprosium-directed metal-organic networks have been formed using three-fold ligands on weakly interacting substrates such as Au(111) and graphene/Ir(111). Identical quasi-hexagonal Dy-carbonitrile coordination networks based on majority five-fold nodes were observed on both substrates, providing perspectives for the formation of lanthanide coordination networks on graphene and related sp(2) materials grown on metals.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Xingan Jiang, Xiangping Zhang, Xiangyan Han, Jianming Lu, Xueyun Wang, Jiawang Hong
Summary: In this study, the stacking heterostructure of graphene on bulk h-BN was observed using lateral force microscopy. The topographic corrugation of the moire pattern was found to induce considerable curvature and flexoelectric response, with a huge curvature of approximately 10(7) m(-1) and a flexoelectric potential of approximately 10 mV. The domain walls of the moire pattern also exhibited electromechanical and frictional response due to the corrugation-induced flexoelectric response.
Article
Nanoscience & Nanotechnology
Xiang Hua, Theodor Axenie, Mateo Navarro Goldaraz, Kyungnam Kang, Eui-Hyeok Yang, Kenji Watanabe, Takashi Taniguchi, James Hone, Bumho Kim, Irving P. Herman
Summary: Encapsulating and sealing MoSe2 and WS2 monolayers with h-BN improved their optical quality and stability, leading to significant enhancements in photoluminescence intensity. This complete encapsulation method shows promise for improving the optical properties of transition-metal dichalcogenide monolayers and their performance at room and higher temperatures.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Nanoscience & Nanotechnology
Hui Yang, Bojun Wang, Xiaobin Niu, Guo-Ping Guo
Summary: The study developed a proximity catalysis route for fast growth of graphene/h-BN vertical heterostructures on Cu foils, with high synthesis efficiency and good crystalline quality graphene. The key advantage lies in introducing fresh Cu foil as a catalyst, where Cu vapor reduces the energy barrier of graphene growth at high temperatures.
Article
Chemistry, Physical
Xing Yang, Bin Zhang
Summary: The study investigates the transverse impact responses of three types of twisted bilayers subjected to nano-projectile penetrations at various velocities. Results show that the twist angle has little effect on the critical penetration velocity, with energy absorption primarily through kinetic energy transfer and deformation. As the number of layers increases, the absorption efficiency of bilayers is higher than that of individual monolayers.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Bingyao Liu, Qi Chen, Zhaolong Chen, Shenyuan Yang, Jingyuan Shan, Zhetong Liu, Yue Yin, Fang Ren, Shuo Zhang, Rong Wang, Mei Wu, Rui Hou, Tongbo Wei, Junxi Wang, Jingyu Sun, Jinmin Li, Zhongfan Liu, Zhiqiang Liu, Peng Gao
Summary: This study demonstrates the successful fabrication of low-strain single-crystalline nitride films on highly mismatched substrates via graphene-assisted remote heteroepitaxy. By weakening the interface potential and smoothing the atomic steps with graphene, the dislocation density caused by lattice mismatches is significantly reduced, leading to the fabrication of a yellow light-emitting diode.
Article
Chemistry, Physical
Xin Wu, Qiang Han
Summary: By studying the topological defects of two-dimensional in-plane heterostructures, it was found that the interface thermal conductance can be significantly improved by controlling the defective concentration and system temperature. The different defective objects lead to radically different trends in the improvement of ITC.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Ilya Popov, Patrick Bugel, Mariana Kozlowska, Karin Fink, Felix Studt, Dmitry Sharapa
Summary: In this paper, an analytical model of graphene nucleation and growth on Cu(111) surfaces is proposed, combining kinetic nucleation theory and DFT simulations of elementary steps. The analysis reveals unusual patterns of graphene growth and successfully reproduces the experimental characteristics of polycrystalline graphene samples in a computationally efficient way.
Article
Materials Science, Multidisciplinary
Cheng Ding, Yue Chen, Jin Yang, Feifei Wang, Shibin Lu, Xing Li, Yuehua Dai
Summary: This study systematically investigates the interface characteristics, adsorption and migration behaviors of Ti metal on pristine and defective graphene intercalation. It is found that the presetting of single vacancy defect is the critical factor controlling ion penetration in the intercalation process.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Wei-Chen Chen, Chiashain Chuang, Tian-Hsin Wang, Ching-Chen Yeh, Sheng-Zong Chen, Kohei Sakanashi, Michio Kida, Li-Hung Lin, Po-Han Lee, Po-Chen Wu, Sheng-Wen Wang, Kenji Watanabe, Takashi Taniguchi, Ya-Ping Hsieh, Nobuyuki Aoki, Chi-Te Liang
Summary: In this study, the fabrication and measurements of a single-layer SnSe2/CVD graphene/h-BN field-effect device were reported. The coherent magnetotransport properties of this hybrid system were systematically studied, revealing the potential of quantum coherent effect and its applications in fields such as thermoelectricity, flexible electronics, and quantum coherent sensing.
Article
Materials Science, Multidisciplinary
Yanzhou Ji, Kasra Momeni, Long-Qing Chen
Summary: The lack of understanding on the fundamental growth mechanisms of 2D materials synthesized by chemical vapor deposition technique has hindered their wafer-scale synthesis. By using an analytical and computational approach, the correlation between macroscale heat and mass flow with mesoscale morphology was investigated. Results showed that substrate enclosure led to a more uniform distribution of concentration and size of h-BN islands during growth.
Article
Chemistry, Physical
Artem V. Tarasov, Max Mende, Khadiza Ali, Georg Poelchen, Susanne Schulz, Oleg Yu. Vilkov, Kirill A. Bokai, Matthias Muntwiler, Vladislav Mandic, Clemens Laubschat, Kristin Kliemt, Cornelius Krellner, Denis V. Vyalikh, Dmitry Yu. Usachov
Summary: By studying the surface reconstruction phenomenon of the heavyfermion superconductor CeIrIn5, we found that the electronic structure and related properties of the In surface differ significantly from the unreconstructed case, and the predicted surface states were not observed. This suggests the existence of surface instabilities in similar materials, which can be revealed by diffraction techniques.
SURFACES AND INTERFACES
(2022)
Article
Chemistry, Physical
Dmitry Yu. Usachov, Daria Glazkova, Artem V. Tarasov, Susanne Schulz, Georg Poelchen, Kirill A. Bokai, Oleg Yu. Vilkov, Pavel Dudin, Kurt Kummer, Kristin Kliemt, Cornelius Krellner, Denis V. Vyalikh
Summary: To efficiently utilize the magnetic functionalities in novel lanthanides-based materials, it is necessary to probe the atomic-layer resolved magnetic properties using complementary methods. This study demonstrates that 4f photoelectron spectroscopy is highly sensitive to the collective orientation of 4f magnetic moments and can be a powerful tool for characterizing related properties. The systematic study on a family of layered crystalline 4f-materials reveals that the 4f moments at the surfaces experience a strong reorientation due to changes in the crystal-electric field. Hence, this research is of great importance for efficient control of magnetic properties in layered 4f-systems.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Leonid V. Bondarenko, Alexandra Y. Tupchaya, Yury E. Vekovshinin, Dimitry V. Gruznev, Vasily G. Kotlyar, Tatiana V. Utas, Alexey N. Mihalyuk, Andrey V. Matetskiy, Nikita V. Denisov, Andrey V. Zotov, Alexander A. Saranin
Summary: “”
By introducing an atomic Au monolayer between a Pb film and a Si(100) substrate, it is possible to fabricate Pb films with single- and double-atom thicknesses. These films exhibit a 2D square-lattice structure with 1D atomic chains of Pb adatoms on the top, resulting in Si(100)1 X 7-(Pb, Au) and Si(100)5 x 1-(Pb, Au) superstructures for single and double atomic Pb layers, respectively. The common characteristic feature is the presence of bundles of quasi-1D metallic bands. It was observed that samples with a Au interlayer show enhanced superconductor properties compared to Pb layers grown on bare Si(100) surface. This finding opens up new possibilities for controlling low-dimensional superconductivity at the atomic scale.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Jack W. Jordan, Alexander Chernov, Graham A. Rance, E. Stephen Davies, Anabel E. Lanterna, Jesum Alves Fernandes, Alexander Gruneis, Quentin Ramasse, Graham N. Newton, Andrei N. Khlobystov
Summary: Boron nitride nanotubes (BNNTs) are highly effective nanocontainers for polyoxometalate (POM) molecules, with spontaneous encapsulation from aqueous solution and Lewis acid-base interactions likely driving the process. Extensive investigation of the guest-molecules revealed energy and electron transfer processes between BNNTs and POMs, leading to various phenomena such as quenching of BNNT photoluminescence, emergence of new photoluminescence emissions, photochromic response, and paramagnetic signals from guest-POMs. These findings provide a fresh perspective on nanoscale host-guest interactions and open pathways for harnessing the functional properties of hybrid systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
L. V. Bondarenko, A. Y. Tupchaya, Y. E. Vekovshinin, D. V. Gruznev, A. N. Mihalyuk, D. V. Denisov, A. V. Matetskiy, D. A. Olyanich, T. V. Utas, V. S. Zhdanov, A. V. Zotov, A. A. Saranin
Summary: Due to their potential for advanced superconductivity and gallenene formation, few-atomic-layer Ga films on Si(111) have been extensively studied using experimental techniques such as LEED, STM, ARPES, and transport measurements combined with DFT calculations. However, it was found that the Ga/Si(111) system exhibits electron localization and becomes insulating due to structural disorder, contradicting the anticipated superconductivity.
MOLECULAR SYSTEMS DESIGN & ENGINEERING
(2023)
Article
Chemistry, Physical
Nadezhda V. Vladimirova, Alexander S. Frolov, Jaime Sanchez-Barriga, Oliver J. Clark, Fumihiko Matsui, Dmitry Yu Usachov, Matthias Muntwiler, Carolien Callaert, Joke Hadermann, Vera S. Neudachina, Marina E. Tamm, Lada Yashina
Summary: Occupancy of different structural positions in a crystal lattice plays a key role in material properties. X-ray Photoelectron Diffraction (XPD) is a surface science structural method that can be used for occupancy analysis. By studying Sb2(Te1-xSex)3 mixed crystals, we found that XPD data showed excellent agreement with the reference method. We also discovered significant differences in anion occupancy between the surface and bulk.
SURFACES AND INTERFACES
(2023)
Article
Chemistry, Physical
D. Yu. Usachov, A. V. Tarasov, D. Glazkova, M. Mende, S. Schulz, G. Poelchen, A. V. Fedorov, O. Yu. Vilkov, K. A. Bokai, V. S. Stolyarov, K. Kliemt, C. Krellner, D. V. Vyalikh
Summary: The study investigates the temperature-dependent canting behavior of the 4f moments near the surface in antiferromagnetic materials HoRh2Si2 and DyRh2Si2. The results reveal the direct correlation between the temperature-dependent changes in the line shape of the 4f multiplet and the canting of the 4f moments. This offers an opportunity for precise monitoring of the orientation of the 4f moments, which is crucial for the development of novel lanthanide-based nanostructures and other applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Materials Science, Multidisciplinary
Artem Sergeev, Yevgeniya O. Kondratyeva, L. V. Yashina
Summary: In this article, the results of molecular dynamics simulations of atomic motions in bulk Li and Na are reported, showing an anomalous temperature dependence of the diffusion coefficient for self-interstitial atoms. It is found that the interaction between one-dimensional and three-dimensional motions plays a crucial role in this anomalous behavior. These findings contribute to the atomistic understanding of low-barrier processes in a crystal lattice.
Article
Materials Science, Multidisciplinary
Leonid V. Bondarenko, Alexandra Y. Tupchaya, Tatiana V. Utas, Yurii E. Vekovshinin, Dimitry V. Gruznev, Alexey N. Mihalyuk, Sergey V. Eremeev, Andrey V. Zotov, Alexander A. Saranin
Summary: Investigating the effect of dimensionality on the properties of matter is a key challenge in nanoscience. Recent research has shown that 2D liquids have fundamentally different dynamics compared to 3D liquids. This study focuses on the physical limit of a liquid confined to a single-atom layer, using a Tl-Pb alloy layer grown on a single-layer NiSi2 substrate. Scanning tunneling microscopy observations reveal different contrasts between Tl and Pb arrays, allowing for direct visualization of the evolution of structures within the atomic layer over time. The obtained experimental dataset, particularly the recorded STM videos, provide insights for the theoretical understanding of dynamics in single-atom-thick liquids.
PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
(2023)
Article
Multidisciplinary Sciences
G. Poelchen, J. Hellwig, M. Peters, D. Yu. Usachov, K. Kliemt, C. Laubschat, P. M. Echenique, E. V. Chulkov, C. Krellner, S. S. P. Parkin, D. V. Vyalikh, A. Ernst, K. Kummer
Summary: The metallic antiferromagnet CeCo2P2 exhibits long-lived spin-waves at terahertz frequencies, suggesting the potential use of metallic antiferromagnets for spin-wave information processing.
NATURE COMMUNICATIONS
(2023)
Article
Physics, Multidisciplinary
M. Krivenkov, D. Marchenko, E. Golias, M. Sajedi, A. S. Frolov, J. Sanchez-Barriga, A. Fedorov, L. V. Yashina, O. Rader, A. Varykhalov
Summary: We demonstrate that the deposition of a monolayer 2D material can significantly influence the electronic structure of the substrate. In our study, a graphene overlayer on TiC(111) changes the Fermi surface topology and modifies the electronic structure of graphene as well. The antibonding pi* band becomes occupied and observable by photoemission.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Chemistry, Inorganic & Nuclear
Anastasia Yu. Gitlina, Viktoria Khistiaeva, Alexey Melnikov, Mariia Ivonina, Vladimir Sizov, Dar'ya Spiridonova, Anna Makarova, Denis Vyalikh, Elena Grachova
Summary: Two methods of post-synthetic modification (Suzuki coupling and CuAAC click-reaction) were applied to Ir(iii) complexes to introduce a highly selective donor site. The potential of post-synthetic modification for controlled construction of d-d and d-f binuclear complexes was demonstrated using functionalized complexes. Characterization techniques such as elemental analysis, NMR spectroscopy, mass spectrometry, FTIR spectroscopy, and X-ray diffraction analysis were used to analyze the obtained complexes. The coordination of the diimine donor site to the Ln(iii) center was confirmed through XPS and NEXAFS spectroscopy. The photophysical properties and luminescent characteristics of the complexes were investigated, and TDDFT calculations were used to explain the luminescence mechanism.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Multidisciplinary
L. V. Bondarenko, A. Y. Tupchaya, Y. E. Vekovshinin, D. V. Gruznev, Tatiana V. Utas, A. N. Mihalyuk, N. V. Denisov, A. V. Zotov, A. A. Saranin
Summary: In this study, a highly ordered, Pb-dense 14x3-Pb overlayer was grown on Si(111) using a two-step procedure. The 14x3-Pb layer exhibits single-domain orientation and reaches a thickness of 1.286 monolayers. The critical temperature (Tc) of the 14x3-Pb phase is 2.08K, exceeding all previously reported values for single-atom Pb layers on Si(111).