Article
Chemistry, Physical
Kangli Wang, Thomas Vincent, Jean Baptiste Bouhiron, Stephane Pons, Dimitri Roditchev, Sabina Simon, Mikhail Fonin, Beate Paulus, Yuriy Dedkov, Sergio Vlaic, Elena Voloshina
Summary: The interaction strength between graphene and substrate is strongly affected by the composition and nature of an alloy, leading to significant differences in the electronic structure of monolayer graphene on different Co-Ir alloys. This is supported by ARPES data showing the disappearance and restoration of the Dirac cone under different conditions.
Article
Chemistry, Physical
Marc G. Cuxart, Daniele Perilli, Sena Toemekce, Joel Deyerling, Felix Haag, Matthias Muntwiler, Francesco Allegretti, Cristiana Di Valentin, Willi Auwaerter
Summary: This work demonstrates how naturally occurring moire' patterns in Ir(111)-supported graphene can template the formation of ordered arrays of boron species. Experimental and theoretical studies provide a comprehensive understanding of the distribution, bonding configurations, interfacial interaction, and impact on graphene's electronic structure. The results show that boron prefers to form small aggregates by inducing local bending of graphene.
Article
Materials Science, Multidisciplinary
M. Krivenkov, D. Marchenko, J. Sanchez-Barriga, E. Golias, O. Rader, A. Varykhalov
Summary: In this study, Bi intercalation under graphene on Ir(111) was investigated, revealing a nearly ideal graphene dispersion with a band gap that can be tuned by Bi coverage. The possibility of Bi intercalating in the phase of bismuthene to form a graphene-bismuthene van der Waals heterostructure was suggested. The study also excluded induced spin-orbit interaction as the origin of the gap, pointing towards sublattice symmetry breaking as a potential mechanism for band gap opening.
Article
Chemistry, Physical
Xinyue Dai, Izaac Mitchell, Sungkyun Kim, Hao An, Feng Ding
Summary: This study proposes a theoretical model called the "sunk growth mode" to understand the growth of multilayer graphene on copper substrates. Extensive density functional theory calculations and molecular dynamic simulations confirm that the sunk growth mode is energetically favorable for multilayer graphene growth on Cu(111) compared to the on-terrace growth mode. Experimental investigations also support the validity of the sunk growth mode. This discovery provides a new and reasonable model for understanding the growth of underlayer graphene and has the potential to be applied to multilayer graphene growth on various substrates.
Article
Chemistry, Physical
Osamu Endo, Fumihiko Matsui, Wang-Jae Chun, Masashi Nakamura, Kenta Amemiya, Hiroyuki Ozaki
Summary: The size and structural properties of graphene grown on a Pt(111) substrate exposed to benzene vary with different substrate temperatures during exposure, playing a significant role in graphene growth.
Article
Chemistry, Multidisciplinary
Alessandro De Vita, Thao Thi Phuong Nguyen, Roberto Sant, Gian Marco Pierantozzi, Danila Amoroso, Chiara Bigi, Vincent Polewczyk, Giovanni Vinai, Loi T. Nguyen, Tai Kong, Jun Fujii, Ivana Vobornik, Nicholas B. Brookes, Giorgio Rossi, Robert J. Cava, Federico Mazzola, Kunihiko Yamauchi, Silvia Picozzi, Giancarlo Panaccione
Summary: This research investigates the ground state electronic properties of CrI3 and VI3 and reveals the stability of different electronic phases and the influence of dimensionality effects.
Article
Chemistry, Physical
Huan Zhang, Zhaofeng Liang, Chaoqin Huang, Lei Xie, Hongbing Wang, Jinping Hu, Zheng Jiang, Fei Song
Summary: Thermocatalytic CO2 reduction reaction is a promising strategy to reduce CO2 emissions. The catalytic role of the bismuth/copper interface in CO2 reduction was investigated, and the dissociation site evolution of the Bi-Cu bimetallic heterostructure was revealed, offering guidance for improving the efficiency of thermocatalytic CO2RR.
JOURNAL OF CATALYSIS
(2022)
Article
Chemistry, Physical
Jinping Hu, Zhaofeng Liang, Hongbing Wang, Huan Zhang, Chaoqin Huang, Lei Xie, Zheshen Li, Zheng Jiang, Han Huang, Fei Song
Summary: On-surface Ullmann coupling has been a focus due to its unique fabrication of conjugated nanostructures with high controllability. The symmetrical dehalogenation of Br2Py on Cu(111) has been studied in detail using a combination of techniques, revealing the formation of OM chains and interesting patterns at different temperatures. The construction of covalent organic chains from different OM intermediates after annealing provides insight into surface Ullmann coupling mechanisms.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Antonio J. Martinez-Galera, Haojie Guo, Mariano D. Jimenez-Sanchez, Enrique G. Michel, Jose M. Gomez-Rodriguez
Summary: New opportunities for graphene engineering can be achieved by adjusting interfacial interaction in terms of d-band filling and geometry of the support. Growth of graphene on Rh(110) surfaces shows distinct stripe-like moire patterns and Dirac cones around the Fermi level. The analysis also reveals the existence of two levels of interfacial interaction strength and the presence of Dirac cones in band structures of different rotational domains, indicating potential for novel graphene-metal interfaces.
Article
Nanoscience & Nanotechnology
Fuqiang Hua, Pengfei Lv, Min Hong, Sen Xie, Min Zhang, Cheng Zhang, Wei Wang, Zhaohui Wang, Yong Liu, Yonggao Yan, Shengjun Yuan, Wei Liu, Xinfeng Tang
Summary: This study visualizes the dominant native atomic defects in SnTe and clarifies an alternative optimization mechanism for the electronic transport properties through defect engineering. Increasing substrate temperature and adjusting the Te/Sn flux ratio during film growth can manipulate the hole density and carrier mobility in SnTe films, leading to an improved power factor. The findings contribute to a better understanding of the electronic transport properties in SnTe-based compounds.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
A. V. Matetskiy, V. V. Mararov, N. V. Denisov, D. L. Nguyen, C. R. Hsing, C. M. Wei, A. V. Zotov, A. A. Saranin
Summary: Ferroelectric transitions in monolayer beta-In2Se3 grown on bilayer graphene were studied, and the violation of electron dispersion during transitions was investigated. The coexistence of stripe and zigzag phases was observed at low temperatures, contrary to the bulk case. The experimental results were supported by total energy calculations, which suggested that monolayer In2Se3 could be a promising material for ferroelectric switching devices.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Meryem Bouaziz, Wei Zhang, Yongfeng Tong, Hamid Oughaddou, Hanna Enriquez, Rym Mlika, Hafsa Korri-Youssoufi, Zhesheng Chen, Heqi Xiong, Yingchun Cheng, Azzedine Bendounan
Summary: In this study, the structural and electronic properties of Au(111) surface after Te deposition in ultrahigh vacuum were investigated. The results showed different surface reconstructions and potential formation of an Au-Te alloy structure at different Te film thicknesses.
Article
Materials Science, Multidisciplinary
Wang Xiyang, Hao Qunqing, Zhang Yun, Pan Qifa, Chen Qiuyun, Feng Wei, Wang Yonghuan, Zhu Xiegang, Luo Lizhu, Lai Xinchun, Liu Qin, Tan Shiyong
Summary: High-quality USb2 thin films were successfully prepared on graphene/6H-SiC(0001) surface by molecule beam epitaxy, exhibiting similar surface atomic structure, electric transport property and band structure to those of bulk USb2 single crystals.
RARE METAL MATERIALS AND ENGINEERING
(2022)
Article
Multidisciplinary Sciences
Yong Zhou, Roman Ovcharenko, Beate Paulus, Yuriy Dedkov, Elena Voloshina
Summary: Intercalating halogen atoms on a ferromagnetic Ni(111) layer was found to completely electronically decouple graphene from the substrate while achieving different levels of doping. The spin-splitting of graphene pi bands was observed even with the small magnetic moment of carbon atoms after intercalation. This study provides insights into forming spin-polarized free-standing graphene layers for potential applications in electronics and spintronics.
ADVANCED THEORY AND SIMULATIONS
(2022)
Article
Chemistry, Physical
L. Bondarenko, A. Y. Tupchaya, Y. E. Vekovshinin, D. Gruznev, A. N. Mihalyuk, N. Denisov, A. Matetskiy, A. Zotov, A. A. Saranin
Summary: The atomic sandwich structure of single atomic layers composed of Pb and NiSi2 on Si(111) substrate has been investigated for its structural, electronic, and transport properties. The sandwich exhibits intricate electronic band structure at low temperatures with high conductance in transport properties.
Article
Chemistry, Multidisciplinary
Haojie Guo, Mariano D. Jimenez-Sanchez, Antonio J. Martinez-Galera, Jose M. Gomez-Rodriguez
Summary: The study shows that different Sb reconstructions can be formed on Pt(111) single crystal by adjusting the surface coverage, with well-ordered Sb phases formed at higher coverage or after annealing. Sb structures synthesized at room temperature are interpreted as surface alloys involving only the first atomic layer, while multilayer alloy phases develop for annealed samples.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Chemistry, Medicinal
Jaime Carracedo-Cosme, Carlos Romero-Muniz, Pablo Pou, Ruben Perez
Summary: This paper introduces the QUAM-AFM data set, the largest simulated AFM image data set to date, which is designed for chemical identification in organic chemistry. It includes 3D image stacks of 685,513 molecules, along with various data and a searchable graphical user interface.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Physical
Antonio J. Martinez-Galera, Haojie Guo, Mariano D. Jimenez-Sanchez, Stefano Franchi, Kevin C. Prince, Jose M. Gomez-Rodriguez
Summary: This article investigates two major issues in nanoparticle catalysts: sintering and carbon contamination. By arranging Ir nanocrystals on a hexagonal boron nitride support, the nanoparticles can be restored and completely free from carbon contamination, providing new avenues for studying catalysis-mediated oxidation reactions.
Article
Chemistry, Multidisciplinary
James Lawrence, Alejandro Berdonces-Layunta, Shayan Edalatmanesh, Jesus Castro-Esteban, Tao Wang, Alejandro Jimenez-Martin, Bruno de la Torre, Rodrigo Castrillo-Bodero, Paula Angulo-Portugal, Mohammed S. G. Mohammed, Adam Matej, Manuel Vilas-Varela, Frederik Schiller, Martina Corso, Pavel Jelinek, Diego Pena, Dimas G. de Oteyza
Summary: This study demonstrates two chemical protection/deprotection strategies for chiral graphene nanoribbons, allowing them to survive exposure to air and regain their original electronic properties through hydrogenation and annealing.
Article
Chemistry, Physical
Jan Patrick Calupitan, Tao Wang, Alejandro Perez Paz, Berta Alvarez, Alejandro Berdonces-Layunta, Paula Angulo-Portugal, Rodrigo Castrillo-Bodero, Frederik Schiller, Diego Pena, Martina Corso, Dolores Perez, Dimas G. de Oteyza
Summary: This paper reports the activation of a C-C sigma bond at room temperature on Cu(111). A biphenylene derivative's C-C sigma bond is broken, followed by the insertion of Cu from the substrate. The study offers new synthetic routes that can be used for in situ generation of activated species for the on-surface synthesis of novel C-based nanostructures. Overall significance of the article is rated 7.5 out of 10.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Haojie Guo, Mariano D. Jimenez-Sanchez, Antonio J. Martinez-Galera, Jose M. Gomez-Rodriguez
Summary: Researchers have successfully used the quasi-1D stripe-like moire pattern on graphene grown on Rh(110) to guide the formation of 1D molecular wires. The preferential adsorption orientations of chloro-aluminum phthalocyanine (ClAlPc) molecules have been investigated using scanning tunnelling microscopy (STM) under ultra-high vacuum (UHV) at 40 K. The study sheds light on the mechanism behind the templated growth of 1D molecular structures and provides insights for tailoring such structures on graphene grown on non-hexagonal metal substrates.
Article
Chemistry, Multidisciplinary
Federico Frezza, Frederik Schiller, Ales Cahlik, Jose Enrique Ortega, Johannes V. Barth, Andres Arnau, Maria Blanco-Rey, Pavel Jelinek, Martina Corso, Ignacio Piquero-Zulaica
Summary: In this study, quinoidal ligands were reacted with single cobalt atoms on an Au(788) surface in ultra-high vacuum, resulting in the formation of cobalt-quinoid chains. The electronic structure of these chains was investigated using angle-resolved photoemission spectroscopy, and their narrow bandgap structure was revealed using low-temperature scanning tunneling microscopy/spectroscopy. Theoretical calculations confirmed that the observed electronic bands originated from the efficient hybridization of cobalt and molecular orbitals. This work provides a foundation for the systematic search of similar one-dimensional π-d hybridized metal-organic chains with tunable electronic and magnetic properties.
Article
Chemistry, Multidisciplinary
Haojie Guo, Ane Garro-Hernandorena, Antonio J. Martinez-Galera, Jose M. Gomez-Rodriguez
Summary: The growth of lateral heterostructures of graphene and h-BN on Rh(110) surfaces is reported, enabling control over the rotational order of the domains. Perfect lateral matching is observed at the boundaries, and intervalley scattering processes in graphene regions can be observed. These high-quality heterostructures with tunable properties can be used as test beds for developing novel nanomaterials.
Article
Nanoscience & Nanotechnology
Jaime Carracedo-Cosme, Carlos Romero-Muniz, Pablo Pou, Ruben Perez
Summary: We propose a chemical characterization approach based on noncontact atomic force microscopy with metal tips functionalized with a CO molecule (HR-AFM) to resolve the internal structure of individual molecules. Our work demonstrates that a stack of constant-height HR-AFM images provides enough chemical information for the identification of quasiplanar organic molecules, and this information can be retrieved using machine learning techniques. The algorithm, trained with a large dataset, can generate the IUPAC name of the imaged molecule as the final output. Our findings highlight the potential of deep learning algorithms in the automatic identification of molecular compounds by AFM.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Wen Wan, Rishav Harsh, Paul Dreher, Fernando de Juan, Miguel M. Ugeda
Summary: Chemical substitution is a promising approach to explore collective phenomena in low-dimensional quantum materials. Transition metal dichalcogenide alloys are shown to be ideal platforms for this purpose. We demonstrate the emergence of superconductivity in single-layer TaSe2 through minute electron doping using substitutional W atoms. The temperature and magnetic field dependence of the superconducting state of Ta1-delta W delta Se2 are investigated using scanning tunneling spectroscopy. A superconducting dome spanning 0.003 < delta < 0.03 with a maximized critical temperature of 0.9 K is observed, which is significantly higher than that of bulk TaSe2 (T-C = 0.14 K). The superconductivity is attributed to an increase in density of states as the Fermi surface approaches a van Hove singularity, but gradually weakens as the singularity is reached, shaping the superconducting dome. Doping-dependent measurements suggest the development of a Coulomb glass phase triggered by disorder due to W dopants.
NPJ 2D MATERIALS AND APPLICATIONS
(2023)
Article
Chemistry, Physical
Emiliano Ventura-Macias, Carlos Romero-Muniz, Pablo Gonzalez-Sanchez, Pablo Pou, Ruben Perez
Summary: Functionalized tips with carbon monoxide (CO) in frequency modulation atomic force microscopy (AFM) can achieve high resolution imaging of molecules and reveal their internal structure on frequency shift maps. Traditionally, frequency shift measurements at low amplitudes have been interpreted as the force gradient between the probe and the sample, but our study shows that this interpretation fails for CO-terminated tips even at amplitudes as small as 0.2-0.3 Å. This is due to the rapid variation in tip-sample interaction caused by the mobility of the CO probe, which deflects to reduce the Pauli repulsion with the sample. In addition, we propose a new and simple approach to the frequency shift based on the force at the closest tip-sample separation, independent of CO deflection. This force approximation accurately reproduces the real frequency maps for amplitudes larger than ~0.3 Å.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Fatma Ibraheem, Hany El-Bahnasawy, Iman A. Mahdy, Manal A. Mahdy, Esmat A. Mahmoud, J. Enrique Ortega, Martina Corso, Celia Rogero, Afaf El-Sayed
Summary: In this study, a new class of diluted magnetic quantum dots (DMQDs) was designed by hybridizing inorganic CdS quantum dots with organic iron phthalocyanine (FePc) molecules. Experimental results showed that FePc molecules transformed the CdS quantum dots into room-temperature soft ferromagnets, while effectively preserving the structure of the quantum dots.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
