Article
Chemistry, Multidisciplinary
Ana Barragan, Roberto Robles, Lucia Vitali, Nicolas Lorente
Summary: Thioether polymers are synthesized by the thermal annealing of 4-bromo-4-mercaptobiphenyl adsorbed on the surface of Au(111), forming intermolecular C-S bonds through four reaction steps involving sulfhydryl or bromine molecular functional groups. The simultaneous occurrence of dehalogenation and dissociation of the S-Au bond is necessary to overcome the competitive formation of C-C bonds. The electronic properties of the phenyl-sulfur bond and the polymer vary with the ligand length, suggesting a broader perspective for this chemical synthesis.
Article
Chemistry, Multidisciplinary
Donglin Li, Luye Sun, Yuanqi Ding, Mengxi Liu, Lei Xie, Yinfu Liu, Lina Shang, Yangfan Wu, Hui-Jun Jiang, Lifeng Chi, Xiaohui Qiu, Wei Xu
Summary: This study focuses on the role of water molecules in driving chiral separation on the surface when RNA base uracil selfassembles into homochiral structures upon water exposure. The findings provide insights into the general role of water molecules in the origin of homochirality in living systems, with implications for other biologically relevant molecules such as amino acids and sugars.
Article
Chemistry, Multidisciplinary
Daniela Dombrowski, Abdus Samad, Clifford Murray, Marin Petrovic, Pascal Ewen, Thomas Michely, Marko Kralj, Udo Schwingenschlogl, Carsten Busse
Summary: Monolayers of tantalum sulfide were prepared on Au(111) by evaporating Ta in a reactive background of H2S. Different structures were formed under sulfur-rich and sulfur-poor conditions, with TaS identified as a phase derived from 2H-TaS2 by removal of the bottom S layer.
Article
Chemistry, Multidisciplinary
Shijie Sun, Baijin Li, Boyu Fu, Zilin Ruan, Hui Zhang, Wei Xiong, Yong Zhang, Gefei Niu, Jianchen Lu, Xiaoqing Zuo, Lei Gao, Jinming Cai
Summary: Nanoscale low-dimensional chiral architectures have attracted increasing scientific interest due to their potential applications in chiral recognition, separation, and transformation. In this study, large-area two-dimensional chiral networks on Au(111) and one-dimensional metal-liganded chiral chains on Cu(111) were successfully constructed and characterized. The chiral transformation of the chiral networks on Au(111) was analyzed, and the electronic state information was studied using scanning tunneling spectroscopy. The combination of scanning tunneling microscopy and non-contact atomic force microscopy techniques enabled ultra-high-resolution characterization of chiral structures on low-dimensional surfaces.
CHINESE CHEMICAL LETTERS
(2022)
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
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, Multidisciplinary
Chong Chen, Pengcheng C. Ding, Zhuo Li, Guoqiang Q. Shi, Ye Sun, Lev N. Kantorovich, Flemming Besenbacher, Miao Yu
Summary: This study reports the super-robust complexes formed by xanthine and sodium and demonstrates their high thermal stability in a high-temperature environment. These findings support the theory of life originating from hydrothermal environments and reveal the robustness of the complexes and their ability to induce electron transfer in harsh conditions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Shuqiu Wang, Yuhan Zhu, Maxime van den Bossche, Jacek Goniakowski, Claudine Noguera, Martin R. Castell
Summary: A class of planar NbnOm atomic clusters, synthesized by evaporating metallic Nb onto an Au(111) substrate in an ultrahigh vacuum environment and subsequent oxidation at elevated temperatures, have been reported. The clusters are composed of structural units with four-, five-, and sixfold rotational symmetry and can assemble to form larger planar clusters. The interaction with the Au substrate significantly alters the atomic and electronic structures of the oxide clusters, including interfacial charge transfer and structural relaxation, enabling the coexistence of a large variety of cluster configurations.
Article
Chemistry, Multidisciplinary
Xiangzhi Meng, Jenny Moeller, Masoud Mansouri, Daniel Sanchez-Portal, Aran Garcia-Lekue, Alexander Weismann, Chao Li, Rainer Herges, Richard Berndt
Summary: Spin-flip excitations of iron porphyrin molecules on Au(111) were investigated using a low-temperature scanning tunneling microscope. The molecules exhibited two distinct adsorption configurations on the surface, with different magnetic anisotropy energies. Density functional theory calculations showed that the different structures and excitation energies were a result of different occupations of the Fe 3d levels. We demonstrated that the magnetic anisotropy energy could be controlled by changing the adsorption site, orientation, or tip-molecule distance.
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, Physical
Zhiyu Yi, Le Lin, Xuda Luo, Yanxiao Ning, Qiang Fu
Summary: Mixed oxides are important in heterogeneous catalytic processes, and understanding the interaction between different oxide components is crucial for synthesizing high-performance catalysts. This study introduces trace amounts of metallic Zn species into chromium oxide nanostructures and investigates their impact on the reducibility of the oxides. The results show that the addition of Zn can significantly lower the reduction temperature of the Cr oxides and enhance their reducibility.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Qilong Wu, Xiaoshuai Fu, Ke Yang, Hongyu Wu, Li Liu, Li Zhang, Yuan Tian, Long-Jing Yin, Wei-Qing Huang, Wen Zhang, Ping Kwan Johnny Wong, Lijie Zhang, Andrew T. S. Wee, Zhihui Qin
Summary: This study demonstrates a practical approach to producing highly crystalline monolayer MoSe2 using high-temperature-annealed Au foil as a weakly interacting substrate for atmospheric pressure chemical vapor deposition. The low-temperature scanning tunneling microscopy/spectroscopy measurements reveal a honeycomb structure of MoSe2 with a quasi-particle bandgap of 1.96 eV. The weak coupling between the Au(100) surface and MoSe2 is critical for easy transfer of monolayers to another host substrate.
Article
Chemistry, Physical
Waleed Azzam, Abdu Subaihi, Michael Rohwerder, Michael Zharnikov, Asif Bashir
Summary: In this study, self-assembled monolayers of 4-fluorobenzenemethanethiol on a gold surface were characterized using scanning tunneling microscopy. A highly ordered monolayer with a commensurate structure was observed, and individual spots corresponding to different components of the monolayer were successfully resolved. These results demonstrate the potential of STM for imaging densely packed molecular assemblies.
Article
Materials Science, Multidisciplinary
Daniela Dombrowski, Abdus Samad, Kai Mehlich, Thais Chagas, Udo Schwingenschlogl, Carsten Busse
Summary: We prepare monolayers of tantalum sulfide on Au(111) through evaporating tantalum in the presence of H2S. Depending on the sulfur concentration, either 2H-TaS2 monolayers or TaS monolayers are formed. Using scanning tunneling microscopy and density functional theory calculations, we investigate the alignment of the layers with the substrate and the formation of heterostructures. We observe mirror twin boundaries within 2H-TaS2 along the S- and Ta-edge.
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, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
