Search Results 1-20 of 643

  • Epitaxial growth of honeycomb-like stanene on Au(111)

    Pang Wenhui , Nishino Kazuki , Ogikubo Tsuyoshi , Araidai Masaaki , Nakatake Masashi , Le Lay Guy , Yuhara Junji

    … Here, we prepared epitaxial honeycomb-like stanene on gold (111) substrates and investigated its superstructure by Low Energy Electron Diffraction and Scanning Tunneling Microscopy. … Angle-Resolved PhotoEmission Spectroscopy was applied to explore the electronic structures, further confirmed by first principles calculations. … This is consistent with DFT calculations of the atomic structure. …

    Applied Surface Science (517), 146224, 2020-07-01


  • Skewed electronic band structure induced by electric polarization in ferroelectric BaTiO3

    Oshime Norihiro , Kano Jun , Ikenaga Eiji , Yasui Shintaro , Hamasaki Yosuke , Yasuhara Sou , Hinokuma Satoshi , Ikeda Naoshi , Janolin Pierre-Eymeric , Kiat Jean-Michel , Itoh Mitsuru , Yokoya Takayoshi , Fujii Tatsuo , Yasui Akira , Osawa Hitoshi

    … Skewed band structures have been empirically described in ferroelectric materials to explain the functioning of recently developed ferroelectric tunneling junction (FTJs). … Nonvolatile ferroelectric random access memory (FeRAM) and the artificial neural network device based on the FTJ system are rapidly developing. …

    Scientific Reports 10(1), 10702, 2020-07-01


  • Large-Cavity Coronoids with Different Inner and Outer Edge Structures

    Marco Di Giovannantonio , Xuelin Yao , Kristjan Eimre , José I. Urgel , Pascal Ruffieux , Carlo A. Pignedoli , Klaus Müllen , Roman Fasel , Akimitsu Narita

    … Coronoids, polycyclic aromatic hydrocarbons with geometrically defined cavities, are promising model structures of porous graphene. … Here, we report the on-surface synthesis of C168 and C140 coronoids, referred to as [6]- and [5]coronoid, respectively, using 5,9-dibromo-14-phenylbenzo[m]tetraphene as the precursor. …

    Journal of the American Chemical Society 142(28), 12046-12050, 2020-06-26


  • Small bandgap in atomically precise 17-atom-wide armchair-edged graphene nanoribbons

    Yamaguchi Junichi , Hayashi Hironobu , Jippo Hideyuki , Shiotari Akitoshi , Ohtomo Manabu , Sakakura Mitsuhiro , Hieda Nao , Aratani Naoki , Ohfuchi Mari , Sugimoto Yoshiaki , Yamada Hiroko , Sato Shintaro

    … Bottom-up synthesis of graphene nanoribbons (GNRs) may open new possibilities in future electronic devices owing to their tunable electronic structure, which depends strongly on their well-defined width and edge geometry. … Such a large bandgap may deteriorate device performance due to large Schottky barriers and carrier effective masses. …



  • Density functional calculations for structures and energetics of atomic steps and their implication for surface morphology on Si-face SiC polar surfaces

    Seino Kaori , Oshiyama Atsushi

    … We perform large-scale density-functional calculations using the real-space finite-difference scheme endorsed by the Gordon Bell prize in 2011 that reveal detailed atomic and electronic structures of atomic steps on silicon carbide (SiC) polar surfaces for the first time. …

    Physical Review B 101(19), 195307, 2020-05


  • Influence of interlayer stacking on gate-induced carrier accumulation in bilayer MoS2

    丸山 実那 , 岡田 晋 , Mina MARUYAMA , Kosuke NAGASHIO , Susumu OKADA

    Atomic layered materials with a semiconducting electronic property have attracted much attention as a conducting channel in field effect transistors (FETs). … Here, we investigate the electronic structures of bilayer MoS2 in a dual gate FET model by using first-principles total-energy calculations based on the density functional theory. …

    ACS Applied Electronic Materials 2(5), 1352-1357, 2020-04-21


  • Imaging of the Atomic Structure of All-Inorganic Halide Perovskites

    Jeremy Hieulle , Shulin Luo , Dae-Yong Son , Afshan Jamshaid , Collin Stecker , Zonghao Liu , Guangren Na , Dongwen Yang , Robin Ohmann , Luis K. Ono , Lijun Zhang , Yabing Qi

    … A thorough understanding of surface atomic structures of the inorganic perovskites and their contributions to their optoelectronic properties and stability is lacking. … Here we show a scanning tunneling microscopy investigation on the atomic and electronic structure of CsPbBr3 perovskite. …

    The Journal of Physical Chemistry Letters 11(3), 818-823, 2020-01-14


  • STM observations of rectangular-like patterns on small cleaved graphene sheet  [in Japanese]

    Li Junhuan , Li Shaoxian , Inagaki Kouji , Kawai Kentaro , Yamamura Kazuya , Arima Kenta

    … Therefore, it is necessary to understand the relationship between local defects in graphene and their electronic structures. … It turns out that there exist several patterns of atomic-scale bright spots, that are probably induced by local defects. … In particular, we will focus on a rectangular-like lattice, and discuss its origin.</p> …

    Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science 2020(0), 3, 2020


  • Mg deposition induced change of structure and electronic properties of Pb/Si(111) surface  [in Japanese]

    Terakawa Shigemi , Hatta Shinichiro , Okuyama Hiroshi , Aruga Tetsuya

    … <p>We have studied the change of atomic structure and electronic properties of Pb/Si(111) striped incommensurate (SIC) surface induced by Mg deposition. … With increasing Mg coverage, the LEED pattern changes to (4×4), "(5×5)" (incommensurate structure), (6×6), and (2×2). … We investigated the electronic properties of these phases. …

    Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science 2020(0), 127, 2020


  • Electron Theory Calculation of Thermodynamic Properties of Steels and Its Application to Theoretical Phase Diagram of the Fe–Mo–B Ternary System

    Enoki Masanori , Takahashi Kota , Mitomi Soei , Ohtani Hiroshi

    … <p>In this study, the ground structures of the Fe–Mo–B ternary systems were estimated by first-principles calculations based on genetic algorithm, and the free energies of their structures are evaluated by electronic calculations and statistical thermodynamic techniques. …

    ISIJ International 60(12), 2963-2972, 2020


  • Surface and interface properties of 2D devices revealed by <i>operando</i> X-ray nanospectroscopy  [in Japanese]

    FUKIDOME Hirokazu

    … <p>Our urgent goal is to achieve a sustainable society where a healthy global environment and prosperous economic activity can coexist. … For this purpose, we have to develop devices utilizing nanomaterials, such as 2D atomic layers. … x-ray spectromicroscopies that enable the nanoscopic elucidation of electronic structures of surfaces and interfaces of devices under operation. …

    Oyo Buturi 89(9), 529-533, 2020


  • Recent Progresses in Nanometer Scale Analysis of Buried Layers and Interfaces in Thin Films by X-rays and Neutrons

    STOEV Krassimir , SAKURAI Kenji

    … <p>In the early 1960s, scientists achieved the breakthroughs in the fields of solid surfaces and artificial layered structures. … The advancement of surface science has been supported by the advent of ultra-high vacuum technologies, newly discovered and established scanning probe microscopy with atomic resolution, as well as some other advanced surface-sensitive spectroscopy and microscopy. …

    Analytical Sciences 36(8), 901-922, 2020


  • Surface Termination-Dependent Nanotribological Properties of Single-Crystal MAPbBr3 Surfaces

    Joong Il Jake Choi , Muhammad Ejaz Khan , Zafer Hawash , Hyunhwa Lee , Luis K. Ono , Yabing Qi , Yong-Hoon Kim , Jeong Young Park

    … Atomistic characterization of surface termination and the corresponding mechanical properties of single-crystal methylammonium lead tribromide (MAPbBr3) are performed using combined atomic force microscopy (AFM) measurements and density functional theory (DFT) calculations. …

    The Journal of Physical Chemistry C 124(2), 1484-1491, 2019-12-17


  • Energetics and electronic structures of MoS2 nanoribbons

    Sawahata Hisaki , Okada Susumu , Mina MARUYAMA , Susumu OKADA , Hisaki Sawahata

    … We study the energetics and electronic structures of MoS2 nanoribbons with clean armchair, chiral, and zigzag edges by conducting the first-principle total energy calculations based on the density functional theory. …

    Japanese Journal of Applied Physics 58(7), 075002-1-075002-5, 2019-06

    IR  DOI 

  • Gas-Phase Synthesis of Trimetallic Nanoparticles

    Jean-Gabriel Mattei , Panagiotis Grammatikopoulos , Junlei Zhao , Vidyadhar Singh , Jerome Vernieres , Stephan Steinhauer , Alexander Porkovich , Eric Danielson , Kai Nordlund , Flyura Djurabekova , Mukhles Sowwan

    … Here, we report a gas-phase synthesis strategy for the growth of multimetallic nanoparticles: magnetron-sputtering inert-gas condensation from neighboring monoelemental targets provides the necessary compositional flexibility, whereas in-depth atomistic computer simulations elucidate the fast kinetics of nucleation and growth that determines the resultant structures. …

    Chemistry of Materials 31(6), 2151-2163, 2019-03-06


  • Preparation and Characterization of Porous Carbon Thin Film by Soft Template Method Using 1,4-dihydroxyanthraquinone as Carbon Source  [in Japanese]

    TAMADA Makio , SUNAMI Yuta

    … <p>For further functional improvement of electronic devices, it is essential to make the storage battery compact and increase the capacitance. … Carbon is using for negative electrode in capacitance and the surface area of carbon effect its capacity. … Therefore, many studies of porous carbon thin films having a large number of pore structures have recently been reported. …

    The Proceedings of Mechanical Engineering Congress, Japan 2019(0), S11123, 2019


  • Electronic Structures of Graphene and Silicene HavingSeveral Kinds of Imperfections such as Atomic Vacancies andHeteroatoms Replacement  [in Japanese]

    SATO Masako , SUZUKI Fumiya , JIMBO Kae , TAKEDA Kyozaburo

    … <p>We theoretically study the electronic structure of group-IV nanosheets, (graphene, silicene and germanene) having several kinds of imperfections such as atomic vacancies and heteroatoms replacement. …

    Journal of Computer Chemistry, Japan 18(4), 176-186, 2019


  • Local electronic structure and activity of nitrogen-doped carbon  [in Japanese]

    Takeyasu Kotaro , Nakamura Junji

    … <p>Nitrogen-doped carbon materials show activity as a base catalyst and an oxygen reduction reaction (ORR) electro catalyst. … The origin of the activity at the atomic level has not been known for a long time. … Recently, the local electronic structure of nitrogen-doped carbon surfaces has been analyzed directly by scanning tunneling spectroscopy (STS), which clearly reveals specific electronic states such as edge states or non-bonding orbitals. …

    TANSO 2019(290), 204-210, 2019


  • Separation of Phenylethanethiolate-protected Gold-Silver 38-atom Alloy Clusters at Atomic Precision by Reversed-phase High-performance Liquid Chromatography  [in Japanese]

    HASHIMOTO Sayaka , NIIHORI Yoshiki , NEGISHI Yuichi

    … Although studying the precise alloy clusters is indispensable to understand the correlation between the structures and physical/chemical properties of alloy clusters, there are still many alloy clusters that cannot be synthesized with atomic precision, as represented by gold-silver alloy clusters. …

    BUNSEKI KAGAKU 68(10), 769-776, 2019


  • Structure and electronic states of Bi ultra-thin films grown on Si substrates  [in Japanese]

    Nakatsuji Kan

    … In our study in terms of the atomic and electronic structures of Bi ultra-thin films on Si(111)√3×√3-B substrates revealed that the Bi(110) islands preferencially grow as even-layer height islands with black-phosphorus-like structure whereas minor odd-layer height islands have a structure different from bulk-like structure.</p> …

    Abstract book of Annual Meeting of the Japan Society of Vacuum and Surface Science 2019(0), 3Ha09, 2019


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