Article
Chemistry, Physical
Yun-Jae Lee, Trinh Thi Ly, Taehun Lee, Krisztian Palotas, Se Young Jeong, Jungdae Kim, Aloysius Soon
Summary: Accurate atomistic models for metal/oxide interfaces are crucial for understanding copper-based interfacial processes, and in this study, the atomic structures of the 29 and 44 surfaces on Cu(111) are successfully revealed through ab initio STM simulations and experiments. A complete atomistic model for the larger 44 surface is elucidated, providing further insights into early oxidation on copper.
APPLIED SURFACE SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Yu Zhong, Min Huang, Guodong Huang, Shuangzan Lu, Qinmin Guo, Yinghui Yu
Summary: The study systematically investigated the antimony phases formed on the copper oxide of Cu(110) and their interaction with the oxide surface. Different configurations of antimony phases and their stability against oxygen exposure were observed. The results may offer a new pathway for fabricating stable ultrathin materials on oxide surfaces with defined edge structures.
Article
Chemistry, Physical
Ting Meng, Xuan Peng, Xunwen Xiao, Ke Deng, Yu-Wu Zhong, Qingdao Zeng
Summary: The mechanism and law of intermolecular interaction between organic photoelectric molecules were investigated in this study using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The experimental results showed the influence of triazine derivatives and temperature on the assembly behavior of H4ETTC, and the theoretical calculations provided insights into the underlying mechanisms.
Article
Chemistry, Physical
Xiaobao Li, Hui Zhang, Yihua Ran, Mao Ye, Fan Yang, Yong Han, Zhi Liu
Summary: Ambient-pressure X-ray photoelectron spectroscopy (APXPS) was used to study the surface behavior of Pt-based catalysts under different oxygen pressures. The results show that the observed X-ray-induced oxidation phenomena are highly dependent on pressure and surface orientation, which is critical for interpreting the in situ X-ray experiments.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Nana K. M. Nazriq, Peter Kruger, Toyo Kazu Yamada
Summary: It was found that atomically flat and electronically uniform MgO island terraces could be grown on a Fe(0 0 1) whisker substrate precoated by a p(1 x 1) oxygen monolayer film. The interface oxygen monolayer played an essential role in promoting the growth of MgO islands, resulting in a ten-fold increase in their size compared to those directly grown on Fe(0 0 1). The atomically flat MgO islands exhibited only a few atomic defects, making them suitable for high-quality insulating layers. Additionally, the MgO islands showed electronic decoupling functionality from the metal substrate. Surface morphology and local electronic structures were investigated using a home-built ultrahigh vacuum scanning tunneling microscopy (STM) at 5 K.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Sergey Y. Sarvadii, Andrey K. Gatin, Vasiliy A. Kharitonov, Nadezhda Dokhlikova, Sergey A. Ozerin, Maxim Grishin, Boris R. Shub
Summary: The study investigated the adsorption of CO on the surface of Cu-based nanoparticles under the presence of an external electric field. It was demonstrated that the size of the nanoparticle is a key factor affecting the adsorption process, particularly the strength of the local electric field close to the surface.
Article
Chemistry, Multidisciplinary
Baofei Hou, Yu Zhang, Teng Zhang, Jizheng Wu, Quanzhen Zhang, Xu Han, Zeping Huang, Yaoyao Chen, Hongyan Ji, Tingting Wang, Liwei Liu, Chen Si, Hong-Jun Gao, Yeliang Wang
Summary: Researchers have developed a strain engineering technique to induce out-of-plane atomic deformations in monolayer CDW material 1T-NbSe2. The scanning tunneling microscopy and spectroscopy measurements, along with first-principles calculations, show that the CDW phase of 1T-NbSe2 can survive under both tensile and compressive strains up to 5%. Moreover, significant strain-induced phase transitions are observed, driving 1T-NbSe2 from an intrinsic-correlated insulator into a band insulator (metal).
Article
Multidisciplinary Sciences
Biao Yang, Martin Uphoff, Yi-Qi Zhang, Joachim Reichert, Ari Paavo Seitsonen, Andreas Bauer, Christian Pfleiderer, Johannes V. Barth
Summary: Iron silicide (FeSi) exhibits unusual electronic gap characteristics in the sub-10 K regime, with distinct features identified through high-resolution tunneling spectroscopy and density functional theory calculations. The DFT-calculated band structure provides insights into the origin of these features and supports the emergence of surface metallicity in the low-temperature regime.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Multidisciplinary
Zhebin Fu, Hiroshi Onishi
Summary: The photocatalytic conversion of an organic compound on rutile nanoparticles dispersed in aqueous solutions was characterized using infrared absorption spectroscopy. The study demonstrates the feasibility of using infrared absorption spectroscopy to track vibrational and electronic transitions in photochemical reactions at liquid-solid interfaces.
Article
Chemistry, Multidisciplinary
Shuangyuan Pan, Min Hong, Lijie Zhu, Wenzhi Quan, Zehui Zhang, Yahuan Huan, Pengfei Yang, Fangfang Cui, Fan Zhou, Jingyi Hu, Feipeng Zheng, Yanfeng Zhang
Summary: This study reports the direct synthesis of mono- to few-layer Ni-tellurides, including 1T-NiTe2 and Ni-rich stoichiometric phases, on graphene/SiC substrates under ultra-high-vacuum conditions. Through atomic-scale scanning tunneling microscopy observations and density functional theory calculations, the researchers obtained detailed information about the phase modulation of Ni-tellurides and self-intercalated compounds. Additionally, the study also predicts the emergence of superconductivity in bilayer NiTe2 intercalated with 50% Ni.
Article
Chemistry, Physical
Michael Dreyer, Joseph Murray, Esther Frederick, Robert E. Butera
Summary: We investigated the adsorption of iodine on Ag (111) surface in ultra-high vacuum using low-temperature scanning tunneling microscopy (LT-STM). We identified three distinct phases and characterized each phase using Fourier-space and real-space analysis. The most significant finding is that the adatom separation in the triangular phase reflects the surface lattice of Ag (111).
Article
Chemistry, Inorganic & Nuclear
Sipeng Zheng, Silvia Spa, Erik P. van Geest, Jan M. van Ruitenbeek, Sylvestre Bonnet
Summary: This study describes the synthesis of a new tetrapyridyl ligand and its iron(II) complex, as well as the investigation of their self-assembly on surfaces. The results suggest that these molecules can self-assemble into highly ordered monolayers, providing important insights for the development of spin-switching materials.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(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
Polymer Science
Zhi-Xuan Liu, Yong-Gang Chen, Zhi-Yong Yang
Summary: This study investigated the evolution of surface structures of organic bicomponent systems during thermal annealing through experimental and simulation approaches. The results suggest that the most stable surface assembly produced by thermal annealing corresponds to the structure with lowest energy.
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
Hexu Zhang, Chenchen Song, Yuanhao Lyu, Peng Cheng, Lan Chen, Cui Zhang, Sheng Meng, Kehui Wu, Yi-Qi Zhang
Summary: In this study, the adsorption behavior of ethynylphenanthrene (EP) and ethynyl-iodophenanthrene (EIP) precursors on Au(111) was investigated using scanning tunneling microscopy and density functional theory (DFT) modeling. It was found that the partially deiodinated EIP molecules can undergo various reactions, including the formation of polymeric chains up to a length of approximately 15 nm. DFT modeling suggests that the deiodinated precursors favor alkyne activation and covalent coupling on Au(111).
Article
Materials Science, Multidisciplinary
Jiawei Huang, Lei Tao, Ningning Dong, Hongqiang Wang, Song Zhou, Jun Wang, Xiaoyue He, Kehui Wu
Summary: This study explores the launching and propagating properties of HPhPs in α-MoO3 along orthogonal crystal orientations using a holey silicon nitride microcavity, providing abundant possibilities for applications and operations in nanophotonics.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Materials Science, Coatings & Films
Zeguo Lin, Xiaofeng Xu, Xiaoran Liu, Jiandong Guo, Fang Yang
Summary: By using pulsed laser deposition, the growth of polar LaFeO3 thin films on SrTiO3(001) substrates with different terrace widths was investigated. The growth of LaFeO3 films undergoes a transition from a 2D mode to a 3D mode due to polarity compensation. However, the critical thickness for this transition can be modulated by the terrace width of the substrate.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2023)
Article
Multidisciplinary Sciences
Haifeng Lv, Caiyun Chen, Wenbin Li, Zhiwen Zhuo, Peng Cheng, Yi-Qi Zhang, Baojie Feng, Kehui Wu, Xiaojun Wu, Lan Chen
Summary: In this study, unique B5 clusters were successfully formed on a monolayer borophene (MLB) on a Cu(111) surface using molecular beam epitaxy and scanning tunneling microscopy experiments. The B5 clusters selectively bind to specific sites of MLB with covalent boron-boron bonds in a periodic arrangement. The close-packed adsorption of B5 clusters facilitates the synthesis of bilayer borophene, exhibiting a domino effect-like growth mode. The successful growth and characterization of uniform boron clusters on a surface enrich the boron-based nano-materials and reveal the essential role of small clusters during the growth of borophene.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Review
Chemistry, Physical
Wenhui Li, Kehui Wu, Lan Chen
Summary: This review summarizes the recent research progress in the synthesis of monolayer and bilayer borophene on various substrates, and discusses the stabilization mechanism and unique physical properties of borophene. By choosing different substrates, the polymorphism of borophene can be induced, and the structure-property correspondence can be realized, providing a potential approach for the structural manipulation and realization of novel properties in borophene. Moreover, the challenges and prospects for the synthesis and potential applications of borophene are also discussed.
PROGRESS IN SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Weiliang Zhong, Tingfeng Zhang, Dan Chen, Nuoyu Su, Guangyao Miao, Jiandong Guo, Long Chen, Zhengfei Wang, Weihua Wang
Summary: A single-layer Cr-3(HITP)(2) conjugated metal-organic framework (c-MOF) is synthesized by substituting Cr for Ni in Ni-3(HITP)(2) templates under ultrahigh vacuum conditions. The deposition of Cr atoms onto the Ni-3(HITP)(2) templates leads to the formation of crystalline Cr-3(HITP)(2) frameworks, while codeposition of Cr atoms and 2,3,6,7,10,11-hexaaminotriphenylene precursors results in irregular branches. Density functional theory calculations demonstrate that the binding energy between Cr and HITP ligands is higher than that for Ni.
Article
Chemistry, Multidisciplinary
Wenhui Li, Qian Gao, Yu Wang, Peng Cheng, Yi-Qi Zhang, Baojie Feng, Zhenpeng Hu, Kehui Wu, Lan Chen
Summary: In this study, it is demonstrated that few-layer gallium selenide (GaSe) grown on highly ordered pyrolytic graphite (HOPG) exhibits coexistence of quantum well states (QWS) and a two-dimensional electron gas (2DEG). The QWS are located in the valence bands and the 2DEG is located in the conduction bands. Additionally, monolayer GaSe/HOPG heterostructures with different stacking angles form distinct moire patterns that effectively modulate the electronic properties of GaSe.
Article
Multidisciplinary Sciences
Wenhui Li, Xuanlin Zhang, Jia Yang, Song Zhou, Chuangye Song, Peng Cheng, Yi-Qi Zhang, Baojie Feng, Zhenxing Wang, Yunhao Lu, Kehui Wu, Lan Chen
Summary: This study demonstrates room-temperature ferroelectricity in van der Waals layered GaSe down to monolayer with mirror symmetric structures, attributing it to the intralayer sliding of the Se atomic sublayers. The discovery offers great opportunities for novel nonvolatile memory devices and optoelectronics applications.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Huiru Liu, Heping Li, Yu He, Peng Cheng, Yi-Qi Zhang, Baojie Feng, Hui Li, Kehui Wu, Lan Chen
Summary: The physicochemical origin of the phenomenon of homochirality is explored through the adsorption of achiral carbon monoxide molecules on an achiral gold surface. The researchers observe dissymmetric cluster phases consisting of chiral CO heptamers and demonstrate chiral amplification during the recondensation of a cluster phase. These findings provide insight into the origin of homochirality and have implications for enantioselective chemical processes.
NATURE COMMUNICATIONS
(2023)
Article
Multidisciplinary Sciences
Huiru Liu, Aolei Wang, Ping Zhang, Chen Ma, Caiyun Chen, Zijia Liu, Yi-Qi Zhang, Baojie Feng, Peng Cheng, Jin Zhao, Lan Chen, Kehui Wu
Summary: Using scanning tunneling microscopy, the authors successfully create single polarons in a monolayer two-dimensional semiconductor, CoCl2. They demonstrate that a series of manipulation progresses - from creation, erasure, to transition - can be accurately implemented on individual polarons.
NATURE COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Zhenyu Sun, Zhihao Cai, Peng Cheng, Lan Chen, Xuewen Zhao, Jinying Zhang, Kehui Wu, Baojie Feng
Summary: Researchers studied the optical properties of ultrathin violet phosphorus through second harmonic generation, photoluminescence, and optical absorption spectroscopy. They found strong bound exciton emission in violet phosphorus, which was 0.48 eV away from the free exciton emission, among the largest differences observed in 2D materials. Additionally, the bandgaps of violet phosphorus were highly sensitive to the number of layers and external strain, providing convenient approaches for bandgap engineering. The strong bound exciton emission and tunable bandgaps make violet phosphorus a promising material in optoelectronic devices.
NPJ 2D MATERIALS AND APPLICATIONS
(2023)
Article
Psychology, Developmental
Kehui Wu, Spencer D. D. Li
Summary: Coercive parenting is prevalent in Chinese society. Previous research has shown that personal attributes like empathic concern can moderate the impact of coercive parenting on juvenile delinquency. However, there is limited research on how this mechanism operates differently across genders.
JOURNAL OF YOUTH AND ADOLESCENCE
(2023)
Article
Psychology, Developmental
Lihua Chen, Kehui Wu, Hongfei Du, Ronnel B. King, Anli Chen, Tongxiaoyu Li, Peilian Chi
Summary: Gender inequality is a major barrier to human well-being, with societies that have higher levels of gender inequality experiencing lower levels of life satisfaction and happiness. Previous studies have produced inconsistent results on how gender inequality affects men's and women's subjective well-being differently, and the psychological mechanisms involved are still not well understood. This study aimed to determine the association between gender inequality and adults' subjective well-being, the mediating role of gender-role attitudes, and whether these associations vary by gender. The findings showed that higher levels of gender inequality were associated with lower subjective well-being among adults in Chinese provinces, and this association applied to both men and women. Less egalitarian gender-role attitudes were found to mediate the detrimental effects of gender inequality on subjective well-being. These results underscore the importance of reducing socio-structural gender biases and stereotypical gender-role attitudes to improve subjective well-being for both men and women.
Article
Chemistry, Multidisciplinary
Song Zhou, Lei Liao, Lan Chen, Baojie Feng, Xiaoyue He, Xuedong Bai, Chuangye Song, Kehui Wu
Summary: This study demonstrates the possibility of maintaining stable in-plane polarization in an extremely thin Bi2WO6 film by using a perfectly lattice-matched NdGaO3 (110) substrate. The residual polarization in this ultrathin film is attributed to the crystal stability of the Bi-O octahedral framework against structural distortions. These findings suggest the potential of the Bi2WO6/NdGaO3 (110) system as a platform for designing low-energy consumption, nonvolatile ferroelectric memories.
Article
Chemistry, Physical
Ke-Hui Wu, Chang-Qi Chen, Yuan Shen, Yu Cao, Sen-Sen Li, Ingo Dierking, Lu-Jian Chen
Summary: This study presents a strategy for constructing high-resolution periodic alignment fields for directrons in liquid crystals via the polarization holography photoalignment technique. Zigzag and fishhook-shaped trajectories of directrons are achieved using two orthogonal polarized beams. These results not only enrich the forms of motion of directrons, but also lay the foundations for customized trajectories of directrons in future developments.
Article
Chemistry, Physical
Erhao Gao, Wenjing Feng, Qi Jin, Li Han, Yi He
Summary: The influence of K-doping on the reactive oxygen species and elementary reactions of HCHO catalytic oxidation was investigated using density functional theory (DFT). The introduction of K-doping changed the electronic structures of Ce and O, facilitating the adsorption and activation of HCHO and O2 molecules, enhancing lattice oxygen mobility, and reducing the energy barrier for HCHO oxidation. K-doping also promoted the formation of hydroxyl groups, facilitating HCHO adsorption and oxidation.
Article
Chemistry, Physical
Hao Fu, Zhangliang Xu
Summary: In this study, the adsorption mechanisms and detection performance of formaldehyde, ammonia, and sulfur dioxide on undoped and metal-doped ZnO surfaces were investigated using density functional theory. The results showed that formaldehyde and ammonia were physically adsorbed on the undoped ZnO surface, while sulfur dioxide was weakly chemisorbed. The adsorption energy was enhanced when ZnO was doped with metals. These findings provide theoretical guidance for the application of ZnO substrate materials in gas sensitivity research.
Article
Chemistry, Physical
Atsushi Nomura, Tohru Kurosawa, Migaku Oda, Satoshi Demura, Shogo Kuwahara, Sora Kobayashi, Hideaki Sakata
Summary: The study investigates the tunneling spectra of 1T-TiSe2 in the CDW state and the dip structure below the Fermi level, aiming to determine whether this dip is a CDW gap. The answer to this question is crucial for understanding the driving mechanism of CDW.
Article
Chemistry, Physical
A. S. Petrov, D. I. Rogilo, A. I. Vergules, V. G. Mansurov, D. V. Sheglov, A. V. Latyshev
Summary: This study investigates Si mass transport and morphological transformations on the Si(111) surface during (root 3 x root 3)-Sn reconstruction formation and Si homoepitaxy. The research shows that the formation of different Sn phases at different temperatures affects the Si island nucleation and monatomic step shift, which in turn impact the morphology of the Sn/Si(111) interface. Electromigration-induced drift of disordered Sn domains leads to enhanced noncompensated Si mass transport and surface roughening.
Article
Chemistry, Physical
D. V. Gruznev, L. V. Bondarenko, A. Y. Tupchaya, A. A. Yakovlev, A. N. Mihalyuk, A. V. Zotov, A. A. Saranin
Summary: Deposition of thallium (Tl) onto the Au/Si(111)5 x 2 reconstruction followed by annealing results in the formation of a surface structure with 4 x 2 periodicity. The immiscibility of Au and Tl leads to the migration of Tl atoms over the Si chains. Thallium donates electrons to the surface, converting the metallic surface into an insulating state and altering the inter-chain distance within the array of Au atomic wires.
Article
Chemistry, Physical
Simone Giusepponi, Francesco Buonocore, Barbara Ferrucci, Massimo Celino
Summary: Using ab-initio calculations, the interaction between lead adatom and both clean and doped iron (100) surfaces was investigated. It was found that the lead adatom prefers to adsorb in the hollow site, which is more stable compared to the top and bridge sites, and in this position, it is energetically favorable over the iron adatom. Moreover, lead adsorbed in the hollow site of the iron (100) surface doped with chromium was found to create a more stable system compared to nickel-doped surfaces with an iron adatom in the same position. The study also explored inter-layer distances, bonding mechanisms, magnetic behaviors, and charge density differences. The results provide insights into the role of doping in the interaction between lead adatom and iron surface, and have implications for the analysis of corrosion processes caused by liquid lead.
Article
Chemistry, Physical
Shuo Zhang, Jin-Ho Choi
Summary: The recent synthesis of two-dimensional layered WSi2N4 has attracted attention due to its potential applications. This study investigates the catalytic performance of WSi2N4 monolayers with nitrogen vacancies in the hydrogen evolution reaction using first-principles calculations. The results show that the defective WSi2N4 monolayers exhibit remarkably high catalytic activity comparable to platinum catalysts. Electronic structure calculations also reveal the emergence of spin-polarized states due to the introduction of nitrogen vacancies.
Article
Chemistry, Physical
Xiaoyan Yu, Xin Cao, Wei Kang, Shanhua Chen, Ao Jiang, Yuhao Luo, Wenwei Deng
Summary: First-principles calculations were used to investigate the electronic properties of a TiO2 heterostructure modified with Bi2Te3 co-catalyst. The study revealed that the Bi2Te3/TiO2 interface introduced optimal band offsets, effectively suppressing electron-hole recombination and enhancing the utilization efficiency of photo-generated carriers. Additionally, the Bi2Te3 co-catalyst introduced extra catalytic active sites, further boosting the photo-catalytic hydrogen evolution efficiency.
Article
Chemistry, Physical
Filippo Longo, Emanuel Billeter, Selim Kazaz, Alessia Cesarini, Marin Nikolic, Aarati Chacko, Patrik Schmutz, Zbynek Novotny, Andreas Borgschulte
Summary: Alkaline water electrolysis is a simple and efficient method for renewable hydrogen production, utilizing cheap and abundant transition metals. The catalytic properties of Ni materials are enhanced by the formation of oxidized compounds on the surface. The high electrocatalytic activity of Ni (oxy)-hydroxides is directly related to water intercalation in the passivation layer, supporting the hypothesis of a water mediated OH- diffusion mechanism. The self-organization of the surface structure during passivation layer formation enables high electrode performance.
Article
Chemistry, Physical
Mohan Kumar Kuntumalla, Miriam Fischer, Alon Hoffman
Summary: By investigating the bonding, retention, and thermal stability of nitrogen in H-Diamond (100), it was found that nitrogen can partially recover its bonding with carbon atoms after high-temperature annealing, indicating a high thermal stability of nitrogen in diamond.
Article
Chemistry, Physical
Dong Yue, Liangying Wen, Rong Chen, Jianxin Wang, Zhongqing Yang
Summary: The adsorption behavior of Cl2 molecules on the TiC surface and the formation and transfer of reaction products were studied using first-principles ab initio calculations. The results show that the Cl atoms bonded to the surface Ti atoms are more stable, and the TiCl3 intermediate is easier to form than the TiCl2 intermediate.
Article
Chemistry, Physical
Yatao Wang, Peng Zhang, Hongjuan Li, Qiuju Xu, Shujun Liu, Xiaopeng Liu, Xuehua Guo, Yitao Li, Jinzhang Liu, Sen Dong, Zhi Wei Seh, Qianfan Zhang
Summary: In this study, the adsorption performance of two types of metal-organic frameworks (MOFs) for thiophene and benzene was experimentally investigated. The results showed that IZE-1 exhibited high selectivity and superior adsorption capacity for thiophene, especially at low concentrations. First-principles calculations and molecular dynamics simulations provided insights into the mechanism of thiophene adsorption and the high selectivity observed. This research demonstrates the potential of MOFs for thiophene adsorption, particularly at high concentrations.
