Article
Chemistry, Physical
Chenbiao Xu, Fei Xu, Xiao Chen, Zhenxing Li, Zhiwen Luan, Xingan Wang, Qing Guo, Xueming Yang
Summary: This study investigates the photoinduced water dissociation and desorption on a R-TiO2(110) surface at different wavelengths, revealing significant increases in the relative yield of H2O oxidation and desorption as the laser wavelength decreases. The results suggest that the energy of charge carriers plays a crucial role in these processes and challenge the widely accepted photocatalysis model of TiO2.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Manuel Caravaca, Jose Jorge Morales, Jose Abad
Summary: The interaction of nitrogen monoxide with silicon deposited onto a rutile single crystal surface was studied using XPS, UPS, and AES techniques. The results showed oxidation of titanium species and reduction of silicon species, with no detectable adsorbed nitrogen on the surface, suggesting a dissociative adsorption process characterized by a Freundlich isotherm.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Cynthia C. Fernandez, Daniel Wechsler, Ole J. Lytken, Hans-Peter Steinruck, Federico J. Williams
Summary: In this study, the interaction of solution-deposited monophosphonic acid tetraphenylporphyrin (MPTPP) molecules with well-defined rutile TiO2 surfaces was investigated using X-ray photoelectron spectroscopy. The results showed that the molecules adsorb mainly in their free-base form and can undergo self-metalation and surface reduction at elevated temperatures. These findings contribute to a better understanding of the surface chemistry of porphyrin molecules on oxide surfaces.
Article
Chemistry, Physical
Long Chen, R. Scott Smith, Bruce D. Kay, Zdenek Dohnalek
Summary: The reaction pathways of glycerol on TiO2(110) involve the production of water, hydrogen, and carbon-containing products, with the C-H bond scission channel identified as the primary pathway for hydrogen evolution. The study also suggests that smaller oxygenates are not suitable models for probing the reaction pathways of larger oxygenates on oxide surfaces.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Zhi-Wen Wang, Wei-Guang Chen, Da Teng, Jie Zhang, An-Ming Li, Zhao-Han Li, Ya-Nan Tang
Summary: The study shows that external uniaxial strain can significantly reduce the energy barrier for water dissociation on the reduced rutile TiO2(110) surface, especially when the tensile strain is larger than 3%. Additionally, the mechanism of water dissociation changes under certain conditions, indicating the feasibility of engineering water dissociation on this surface using external strain.
Article
Chemistry, Physical
Xinle Wang, Jin Chen, Yuzhao Ma, Jianye Shi, Yueying Wang, Xiaofeng Yang, Meidan Que, Yuxi Zhou, Yanjun Li
Summary: Two-dimensional transition metal carbide MXene (Ti3C2Tx) has great potential in electromagnetic wave absorbing materials due to its abundant surface functional groups and defects, tunable conductivity, and high specific surface area. The introduction of magnetic metal Co nanoparticles and Rutile-TiO2 effectively addresses the issue of single loss mechanism in Ti3C2Tx. The study demonstrates the excellent electromagnetic wave absorption performance of the CTC100 composite, which is primarily attributed to the synergistic effect of magnetic loss and dielectric loss.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Huan Fei Wen, Yasuhiro Sugawara, Yan Jun Li
Summary: This study systematically explored the nature of hydrogen atoms on the surface and subsurface of rutile TiO2 using atomic force microscopy, scanning tunneling microscopy, and Kelvin probe force spectroscopy. The behaviors and mechanism of hydrogen atom desorption and transfer were investigated, leading to successful manipulation of the reversible hydrogen atom transfer. The study provides new insights into the nature and manipulation of hydrogen atoms and is useful for designing new catalysts of metal oxides.
SURFACES AND INTERFACES
(2021)
Article
Chemistry, Physical
Jiuyan Wei, Sota Odani, Yasuhiro Sugawara, Yan Jun Li
Summary: In this study, a new type of step, step BII, was discovered on the anatase TiO2(1 0 1) surface using atomic force microscopy/Kelvin probe force microscopy combined with density functional theory (DFT). The study challenges the conventional understanding of step charges and provides insights into the charge state and structure of different steps. The findings have implications for the understanding of reactivity and catalytic performance in metal oxide materials.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Qiang Zhu, Yasuhiro Sugawara, Yanjun Li
Summary: This study investigated the adsorption and two-dimensional movement of CO molecules on the rutile TiO2(110) surface using atomic force microscopy at 78 K. The stability of CO molecules was found to be affected around Oad, becoming unstable under short-range force and pinning around Oad. The use of an oxygen-terminated tip apex enabled the two-dimensional movement of CO molecules on the substrate, overcoming the force threshold. These findings have implications for catalytic design using CO oxide-based metal-semiconductor substrates.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
Wilke Dononelli, Thorsten Kluener
Summary: The main task of quantum chemistry is to predict total energies for a given system within a nonapproximate method for a complete basis set. In this study, a new method for analyzing local basis set superposition errors is introduced to converge a basis set for a compound. Using the method, a complete basis set composition for CO molecule adsorbed on rutile(110) is defined.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2021)
Article
Physics, Multidisciplinary
C. Kamal, Nader Stenberg, Lars Erik Walle, Davide Ragazzon, Anne Borg, Per Uvdal, Natalia Skorodumova, Michael Odelius, Anders Sandell
Summary: Through experimental and theoretical studies, it was found that the ratio of intact (D2O) to dissociated (OD) water on the TiO2 (110) surface decreases with temperature, along with a decrease in the core-level binding energy of D2O (Delta BE). These variations are primarily influenced by the local hydrogen bonding environment.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Daniel Wechsler, Priscila Vensaus, Nataliya Tsud, Hans-Peter Steinruck, Ole Lytken, Federico J. Williams
Summary: The study investigated coverage- and temperature-dependent proton transfer and self-metalation reactions of tetraphenylporphyrin molecules containing a carboxyl functional group (MCTPP) on rutile TiO2(110) surfaces, as well as changes in molecular geometric and electronic structures. Results showed that increasing temperature led to a decrease in protonated porphyrin molecules and observed self-metalation reactions in a specific temperature range, showing coverage dependence. Metalation also shifted the surface state to lower energies and modified molecular electronic states.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
R. M. Dulanga S. Somaratne, James E. Whitten
Summary: The study investigates the deposition of gold and lithium on TiO2(110) and the evolution of surface electronic structure. Gold grows two dimensionally on the first monolayer, with additional gold forming islands, making the surface metallic by 1 ML. For lithium, the atoms penetrate into the bulk gradually, forming a Ti3+ 3d gap state below the Fermi level.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Physics, Condensed Matter
Giovanni Carraro, Marco Smerieri, Simone Passaglia, Gianangelo Bracco, Luca Vattuone, Mario Rocca, Albano Cossaro, Alberto Verdini, Luca Floreano, Letizia Savio
Summary: This study investigates the adsorption behavior of glutamic acid on TiO2 surface and finds that surface hydroxylation affects the adsorption state. It is suggested that glutamic acid binds to the surface through a carboxylate group.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Physical
Xiaoyang Wang, Liang Zhang, Yuxiang Bu, Wenming Sun
Summary: This study revealed the effect of Pt atoms on oxygen vacancy migration and found that under oxygen-rich conditions, the substitution of Pt atoms can affect the formation and migration of oxygen vacancies. In bimetal centers, the interactions between atoms can influence the process of water dissociation.
Article
Chemistry, Multidisciplinary
Shaoshan Wang, Pengcheng Ding, Zhuo Li, Cristina Mattioli, E. Wenlong, Ye Sun, Andre Gourdon, Lev N. Kantorovich, Flemming Besenbacher, Xueming Yang, Miao Yu
Summary: Transition-metal carbides have been widely studied as high-performance catalysts, but the catalytic properties of copper carbides have not been explored. By introducing subsurface carbon to Cu(111), a displacement reaction of a proton with a single Cu atom at atomic scale and room temperature is demonstrated. This novel Cu△+ surface, based on subsurface carbon doping, offers a new catalytic platform for on-surface synthesis.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
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
Jun Zhang, Linwei Zhou, Pengcheng Chen, Bingkai Yuan, Zhihai Cheng, Wei Ji, Xiaohui Qiu
Summary: In this study, the facet-selective dissociation of dibenzotetrathiafulvalene (DBTTF) molecules on Cu(110) and Cu(100) surfaces was investigated using low-temperature scanning tunneling microscopy and first-principles calculations. Different intermediates and reaction pathways were identified on different facets, with the formation energies related to the spatial inhomogeneity of surface electronic states explaining the various chemical species found. The effects of electronic and geometrical diversities on the surface mobility of intermediate products and subsequent on-surface reaction pathways were addressed.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Quanzhen Zhang, Jan Brndiar, Martin Konopka, Huan Fei Wen, Yuuki Adachi, Masato Miyazaki, Robert Turansky, Rui Xu, Zhi Hai Cheng, Yasuhiro Sugawara, Ivan Stich, Yan Jun Li
Summary: By using AFM and KPFM, the study focused on the charge states of Au nanoclusters on a TiO2(110) surface, revealing they are positively charged and that charge transfer is size-dependent. Charged defects play a key role in the discharge process, and the redox states of Au nanoclusters can dynamically change from positive to negative through continuous scanning.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Quanzhen Zhang, Yu Zhang, Yanhui Hou, Runzhang Xu, Liangguang Jia, Zeping Huang, Xiaoyu Hao, Jiadong Zhou, Teng Zhang, Liwei Liu, Yong Xu, Hong-Jun Gao, Yeliang Wang
Summary: In this study, the authors demonstrate the precise tuning of one-dimensional confined potential at a homojunction of two single-layer 1T-NbSe2 islands using an in situ manipulation technique. The potential is found to be structurally sensitive and shows a nonmonotonic function of their interspacing. The electronic properties also change from a correlated insulator to a generalized one-dimensional Wigner crystallization with increasing confinement.
Article
Chemistry, Physical
Gehui Zhang, Luchen Chen, Le Wang, Zhanjie Lu, Haoyu Dong, Zhihai Cheng, Xu Zhang, Xiaohui Xu, Bin Wang, Shanshan Chen
Summary: In this study, ultrathin 2D GaN films were synthesized using an improved template method and plasma enhanced chemical vapor deposition. The nitrogenization of the Ga2O3 template layer and controlled etching of unwanted upper layers were achieved by soft N-2 plasma. The resulting subnanometer-thick 2D GaN film exhibited a wide bandgap of approximately 4.9 eV, making it suitable for deep-ultraviolet applications.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Materials Science, Multidisciplinary
Hewei Zhao, Xianqin Xing, Gehui Zhang, Wenyu Liu, Haoyu Dong, Zhanjie Lu, Tianyuan Li, Junfeng Zhang, Zhihai Cheng, Le Wang, Shanshan Chen
Summary: In this study, a simple water-assisted technique was developed to directly remove the PMMA layer from the graphene surface. No organic solvents were used in the transfer process, resulting in a clean and intact graphene film. This method enables easy transfer of different types of graphene samples to diverse substrates, and the transferred graphene film exhibits high cleanliness and improved performance compared to conventional wet transfer technique.
Article
Chemistry, Physical
Yuuki Adachi, Huan Fei Wen, Quanzhen Zhang, Masato Miyazaki, Yasuhiro Sugawara, Jan Brndiar, Lev Kantorovich, Ivan Stich, Yan Jun Li
Summary: We demonstrate in this study that a single oxygen adatom on a rutile TiO2(110)-(1 x 1) surface can exhibit three different charge states, namely O-ad(2-), O-ad(-), and O-ad(0), and these states can be precisely controlled with single-electron precision using atomic force microscopy and Kelvin probe force spectroscopy. The experimental results confirm that O-ad(0) is indeed the lowest redox state of the oxygen adatom, while achieving O-ad(+) is not possible. Our findings provide insights into the chemical nature of oxygen adatoms on metal oxide surfaces.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Nanoscience & Nanotechnology
Wenyu Liu, Xiuting Li, Yushu Wang, Rui Xu, Hao Ying, Le Wang, Zhihai Cheng, Yufeng Hao, Shanshan Chen
Summary: This study presents a facile deposition-segregation technique for synthesizing hBN/G vertical heterostructures, and investigates the growth mechanism and physical properties of the structure. The results demonstrate the importance of the deposition-segregation approach for large-scale production of hBN/G heterostructures.
Article
Chemistry, Multidisciplinary
Zhuo Li, Guoqiang Shi, Junfeng Zhou, Yanghan Chen, Pengcheng Ding, Wei Yi, Ye Sun, Xin Yang, Lev N. Kantorovich, Federico Rosei, Miao Yu
Summary: In this study, the researchers successfully achieved control over the yield and selectivity in on-surface synthesis by introducing carbon and UV irradiation in an olefin cyclization reaction, which serves as a model system. This approach may offer a promising route for overcoming high reaction barriers and regulating selectivity in on-surface synthesis.
CELL REPORTS PHYSICAL SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Teng Zhang, Renyi Li, Xiaoyu Hao, Quanzhen Zhang, Huixia Yang, Yanhui Hou, Baofei Hou, Liangguang Jia, Kaiyue Jiang, Yu Zhang, Xu Wu, Xiaodong Zhuang, Liwei Liu, Yugui Yao, Wei Guo, Yeliang Wang
Summary: Ullmann-like on-surface synthesis is an appropriate approach for fabricating covalent organic nanostructures. In this study, we used 2D hBN as a protective layer and successfully achieved Ullmann-like coupling of a planar biphenylene-based molecule on an hBN/Rh(111) surface. This finding is expected to be important for high-yield fabrication of functional nanostructures for future information devices.
Article
Chemistry, Multidisciplinary
Shangzhi Gu, Wenyu Liu, Shuo Mi, Guoyu Xian, Jiangfeng Guo, Fei Pang, Shanshan Chen, Haitao Yang, Hong-Jun Gao, Zhihai Cheng
Summary: In this study, the twist angle-dependent work functions of twisted bilayer graphene (tBLG) were investigated using Kelvin probe force microscopy (KPFM) and Raman spectroscopy. The surface potentials of Bernal-stacked multilayer graphene were measured to determine the relationship between twist angle and surface potential. It was found that the work function of tBLG decreases and tends to saturate with increasing number of layers. Controlled annealing process showed that tBLG transforms into Bernal-stacked bilayer graphene. This research provides valuable insights into the twist angle-dependent surface potentials and electronic properties of tBLG.
Review
Materials Science, Multidisciplinary
Rui Xu, Jianfeng Guo, Shuo Mi, Huanfei Wen, Fei Pang, Wei Ji, Zhihai Cheng
Summary: In this review, recent advancements in functional AFM methods and their applications in the study of 2D materials are discussed. The findings of these studies can inspire exciting applications using advanced AFM modes in the fields of 2D and functional materials.
Article
Materials Science, Multidisciplinary
Yuuki Adachi, Jan Brndiar, Huan Fei Wen, Quanzhen Zhang, Masato Miyazaki, Sourbh Thakur, Yasuhiro Sugawara, Hongqian Sang, YanJun Li, Ivan Stich, Lev Kantorovich
Summary: A highly sensitive fast atomic force microscopy setup is used to study redox transitions of oxygen atoms on a TiO2 surface at 78 K, enabling statistically necessary data collection without ultra-low temperatures. This setup reveals changes in electronic structure and correlation between oxygen species that are inaccessible by standard atomic force microscopy.
COMMUNICATIONS MATERIALS
(2021)
