Article
Chemistry, Physical
Zeying Zhou, Ang Li, Fang Wu, Chengxi Huang, Erjun Kan
Summary: In recent years, two-dimensional ferroelectric materials have attracted considerable attention for their potential applications in high-performance electronic nanodevices, such as ferroelectric random-access memories. However, most existing 2D ferroelectric materials only have two equivalent ferroelectric states with opposite electric polarization directions. In this study, we propose that a stable 2D ferroelectric material with six equivalent ferroelectric states can be achieved by single-atom adsorption on a metal halide monolayer. These findings provide a potential route to realize multi-state 2D ferroelectric materials for multi-functional device applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Yuan Li, Ai Fu, Guangzheng Yi
Summary: This study provides a computational investigation into the charge transport mechanism in two-dimensional covalent organic frameworks (2D COFs). The results reveal that the electron mobility in a C2N-h2D monolayer follows a power-law behavior with temperature, indicating the presence of band transport at both low and high temperatures. Unusual phonon scatterings of electrons are found to be determined by optical phonons rather than acoustic phonons at room temperature.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Xiaobin Zou, Mingyuan Xie, Ruize Wang, Haikuan Liang, Yan Li, Fei Tian, Yong Sun, Chengxin Wang
Summary: Researchers have successfully synthesized 2D single-crystal ultrathin Bi3O2S3 nanosheets using low-pressure chemical vapor deposition. They clarified the atomic arrangement of the nanosheets and observed a thickness-independent superconducting transition at around 6.1 K. The transport measurements revealed typical 2D superconducting characteristics and strong anisotropy. The difference in superconductivity between the nanosheets and powders was attributed to their respective microstructures. These findings provide fresh insights into the search for other bismuth oxychalcogenides and BiS2-based analogues at the 2D limit.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Physical
Haoran Song, Rong Du, Yuwei Wang, Daoyuan Zu, Rui Zhou, Yang Cai, Fangxian Wang, Zhuo Li, Yongming Shen, Changping Li
Summary: A simple and general vacancy defects anchoring strategy was developed for the synthesis of single atom metals, which exhibited excellent performance for peroxymonosulfate activation. The single atom Co catalyst not only showed outstanding performance in PMS activation, but also performed well even under alkaline conditions or in actual river water.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Energy & Fuels
Kefeng Xie, Shengyuan Xu, Kai Xu, Jie Wang, Longjun Ma, Jun -Bing Lin
Summary: CO produced by incomplete combustion is a significant threat to the environment and human health. A stable single iron atom two-dimensional porphyrin sheet (Fe-TDPS) was designed to serve as a catalyst for CO oxidation, increasing catalytic activity and reducing costs. The reaction mechanism was investigated using density functional theory, and results indicated that Fe-TDPS can be used as a catalyst for mild CO oxidation.
Article
Engineering, Environmental
Xin Wu, Shouwei Zuo, Mei Qiu, Yang Li, Yongfan Zhang, Pengfei An, Jing Zhang, Huabin Zhang, Jian Zhang
Summary: This study successfully locates isolated Co atoms on the surface of TiO2 nanosheets, providing efficient catalytic sites for photocatalytic hydrogen evolution. X-ray absorption fine structure measurements confirm that the Co atoms are successfully dispersed on the TiO2 surface via grafting. Experimental and theoretical results demonstrate that the isolated Co atoms can accelerate electron transfer and hydrogen evolution reactions through effective Co-O electronic coupling.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Physics, Multidisciplinary
Santosh Kumar Radha, Walter R. L. Lambrecht
Summary: First-principles calculations reveal the formation of a 2D spin-polarized electron gas on the Li (CoO2) terminated surfaces, with topological origin.
Article
Physics, Multidisciplinary
Ami Shinjo, Masato Baba, Koya Higashiyama, Ryoichi Saito, Takashi Mukaiyama
Summary: This study demonstrates Ramsey interferometry by three-dimensional motion with a trapped Yb-171(+) ion, paving the way for realizing matter-wave interferometry using trapped ions.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Xinli Wang, Juping Xu, Jianguo Si, Baotian Wang, Wen Yin
Summary: This article investigates the structural and electronic properties of two-dimensional quintuple-layer Al2O3. It is found that Al2O3 with intrinsic out-of-plane polarization is a semiconductor, but can exhibit metallicity when stacked in a certain configuration. The semiconductor-metal transition mechanism revealed in this study is applicable to other 2D polarized van der Waals materials and heterostructures.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Kefeng Xie, Shengyuan Xu, Kai Xu, Jun-Bing Lin
Summary: In order to reduce costs and improve catalytic activity, a two-dimensional porphyrin sheet with single nickel atoms (Ni TDPS) was used as a catalyst for CO oxidation, and the detailed reaction path was studied by DFT. The stability of Ni - TDPS was determined by AIMD simulations. Three typical reaction mechanisms of CO oxidation on Ni TDPS were discussed, including LH, ER, and TER mechanisms. The results showed that the TER mechanism is feasible due to the minimum reaction energy barrier in the rate-determining step. Therefore, Ni - TDPS is a potential candidate catalyst for CO oxidation in theory.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Multidisciplinary
Xianjin Shi, Leo N. Y. Cao, Meijuan Chen, Yu Huang
Summary: This review summarizes the design and application of two-dimensional materials confining single atoms (SACs@2D) for CO2 photoreduction, and proposes challenges and opportunities, laying a foundation for further research and application.
CHINESE CHEMICAL LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Takuto Soma, Kohei Yoshimatsu, Koji Horiba, Hiroshi Kumigashira, Akira Ohtomo
Summary: The oxide superconductor Li1-xNbO2, with two-dimensional NbO2 layers, exhibits 2D superconductivity and large anisotropy in the upper critical field. The temperature-independent anisotropy suggests single-band superconductivity, which is different from other materials with similar structures. The study also reveals a narrow and correlated single band in the 2D NbO2 layers of Li1-xNbO2, similar to the superconductivity in cuprates.
Article
Chemistry, Physical
Weiming Chen, Peipei Li, Jia Yu, Peixin Cui, Xiaohu Yu, Weiguo Song, Changyan Cao
Summary: MXenes analogues supported metal single atoms show enhanced electronic structure modification through in-situ doping with NiCl2 molten salt etching method. These materials exhibit excellent response sensitivity, selectivity, and stability in gas sensing applications.
Review
Chemistry, Multidisciplinary
Qi Xu, Jian Zhang, Dingsheng Wang, Yadong Li
Summary: This review discusses the combination of single-atom site catalysts (SACs) and two-dimensional materials (2DM) in catalysis, highlighting their applications in energy conversion, synthesis, and characterization methods for SACs supported on 2DM, and summarizing the current challenges and perspectives.
CHINESE CHEMICAL LETTERS
(2021)
Article
Chemistry, Physical
Samrat Ghosh, Yusuke Tsutsui, Takahiro Kawaguchi, Wakana Matsuda, Shusaku Nagano, Katsuaki Suzuki, Hironori Kaji, Shu Seki
Summary: This study developed crystalline pi-conjugated covalent organic frameworks (COFs) and demonstrated their potential in terms of conductivity and photoresponsivity, providing new active materials for multifunctional organic electronics.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Yiliang Lin, Xiang Gao, Jiping Yue, Yin Fang, Jiuyun Shi, Lingyuan Meng, Clementene Clayton, Xin-Xing Zhang, Fengyuan Shi, Junjing Deng, Si Chen, Yi Jiang, Fabricio Marin, Jingtian Hu, Hsiu-Ming Tsai, Qing Tu, Eric W. Roth, Reiner Bleher, Xinqi Chen, Philip Griffin, Zhonghou Cai, Aleksander Prominski, Teri W. Odom, Bozhi Tian
Summary: In this study, a soil-inspired chemical system was developed to modulate microbial communities and impact biogeochemical cycles and homeostasis in human health. The composite material showed potential in rectifying gut microbiome dysbiosis and inflammatory symptoms.
Article
Chemistry, Multidisciplinary
Yishen Liu, Meijia Gu, Qihang Ding, Zhiyun Zhang, Wanxia Gong, Yuncong Yuan, Xiaofei Miao, Huili Ma, Xuechuan Hong, Wenbo Hu, Yuling Xiao
Summary: We developed efficient heavy-atom-free photosensitizers in the near-infrared (NIR) range using a facile approach. By modifying the thiopyrylium-based NIR-II dyads, our study showed that a sterically bulky and electron-rich moiety enhanced the intersystem crossing and electron excitation characteristics, resulting in significantly elevated reactive oxygen species (ROS) quantum yield. Our optimized lung-targeting nanoparticles enabled real-time NIR-II lung imaging and guided effective pulmonary coronavirus inactivation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Computer Science, Artificial Intelligence
Chen Wang, Jiang Zhong, Qizhu Dai, Yafei Qi, Qien Yu, Fengyuan Shi, Rongzhen Li, Xue Li, Bin Fang
Summary: This study proposes a novel Channel Correlation Distillation (CCD) method for semantic segmentation to address the issue of neglecting channel correlation knowledge transfer in prior methods. By minimizing the distance between the channel correlation maps of the student and teacher models, the student model is guided to mimic the teacher model. Additionally, multi-scale discriminators are introduced to sufficiently distinguish the multi-scale differences between the teacher and student segmentation outputs. Extensive experiments on popular datasets validate the superiority of CCD, consistently improving state-of-the-art methods for semantic segmentation.
INTERNATIONAL JOURNAL OF PATTERN RECOGNITION AND ARTIFICIAL INTELLIGENCE
(2023)
Article
Chemistry, Physical
Guy Reuveni, Yael Diskin-Posner, Christian Gehrmann, Shravan Godse, Giannis G. Gkikas, Isaac Buchine, Sigalit Aharon, Roman Korobko, Constantinos C. Stoumpos, David A. Egger, Omer Yaffe
Summary: We demonstrate that formamidinium-based crystals differ from methyl ammonium-based halide perovskite crystals due to the presence of intrinsic local static disorder in their inorganic sublattice, despite having a well-defined average crystal structure. Our study combines terahertz-range Raman scattering, single-crystal X-ray diffraction, and first-principles calculations to investigate the temperature-dependent dynamics of the inorganic sublattice in the range of 10-300 K. The temperature evolution of the Raman spectra reveals that low-temperature, local static disorder significantly influences the crystal structural dynamics and phase transitions at higher temperatures.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Biochemistry & Molecular Biology
Aleksei O. Murzin, Anna Yu. Samsonova, Constantinos C. Stoumpos, Nikita I. Selivanov, Alexei V. Emeline, Yury V. Kapitonov
Summary: Halide perovskites and their low-dimensional analogs are promising semiconductor materials for various photonics applications. This paper proposes a method using diluted diffuse reflectance spectroscopy to obtain the full-range absorption spectrum from halide perovskite powders, and demonstrates its practical importance.
Article
Chemistry, Physical
Nikita Selivanov, Ruslan Kevorkyants, Alexei Emeline, Constantinos C. C. Stoumpos
Summary: In this study, the crystal and electronic structures of newly synthesized materials 3-NH3-PyPbX4 (X = Br, I) were investigated. Both compounds were found to be direct semiconductors with direct transitions occurring at specific k-points. The electronic states in the highest energy valence bands mainly originated from halogen anions, while the lowest states in the conduction band originated from lead orbitals. Additionally, the materials exhibited broad luminescence emissions, and two mechanisms of radiative relaxation were discussed.
Article
Physics, Applied
Zhifu Liu, John A. Peters, Lei Pan, Vladislav Klepov, Michael De Siena, Alessandro Benadia, Duck Young Chung, Mercouri G. Kanatzidis, Bruce W. Wessels
Summary: Recently, the focus has been on developing x-ray and gamma ray detectors with large volume and high energy resolution that can operate at room temperature. To achieve this, it is necessary to increase the carrier mobility-lifetime product and minimize the concentration of electronic trap states. Thorough measurements and comparisons were conducted on CsPbBr3 halide perovskite single crystals to understand their origins and trap parameters. The results showed that crystals with trap concentrations below 1 x 10(14) cm(-3) exhibited appreciable detector performance.
APPLIED PHYSICS LETTERS
(2023)
Article
Physics, Applied
Lei Pan, Indra Raj Pandey, Zhifu Liu, John A. Peters, Duck Young Chung, Conny Hansson, Bruce W. Wessels, Antonino Miceli, Mercouri G. Kanatzidis
Summary: In this study, the polarization effects of perovskite CsPbBr3 semiconductor detectors were investigated using high-flux synchrotron x rays. The detectors did not exhibit significant polarization until a flux higher than 10(10) photons s(-1) mm(-2). The spatial and temporal effects of polarization were visualized using the pump-and-probe technique. It was found that stronger applied electric fields and fewer carrier traps can mitigate polarization.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Physics, Multidisciplinary
Ramakanta Chapai, Maxime Leroux, Vincent Oliviero, David Vignolles, Nicolas Bruyant, M. P. Smylie, D. Y. Chung, M. G. Kanatzidis, W. -k. Kwok, J. F. Mitchell, Ulrich Welp
Summary: The layered kagome metals of composition AV3Sb5 (A = K, Rb, Cs) recently discovered exhibit a complex interplay among various electronic states. In this study, quantum oscillation measurements in pulsed fields up to 86 T were used to probe the electronic band structure of CsV3Sb5. The high-field data reveal a folded Fermi surface and the existence of large triangular Fermi surface sheets.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Young Yun Kim, Su-Mi Bang, Jino Im, Geunjin Kim, Jason J. Yoo, Eun Young Park, Seulki Song, Nam Joong Jeon, Jangwon Seo
Summary: To achieve mass production of perovskite solar modules, it is important to develop large-area fabrication methods for high-quality perovskite films with eco-friendly solvents. This study successfully develops an eco-friendly solvent/co-solvent system for producing high-quality perovskite films with a large-area antisolvent bathing method. The resulting perovskite solar modules show high efficiency and long-term stability. The new solvent system based on MSM is also effective in low-temperature or high-humidity environments.
Article
Nanoscience & Nanotechnology
Yea-Lee Lee, Hyungseok Lee, Seunghun Jang, Jeongho Shin, Taeshik Kim, Sejin Byun, In Chung, Jino Im, Hyunju Chang
Summary: TEXplorer is a web-based platform designed to collect and share all types of thermoelectric materials data, provide valuable tools for data processing and visualization, and predict thermoelectric properties through machine learning models. This study used TEXplorer to collect and manage the thermoelectric dataset of SnSe and Bi2Te3 with various doping/alloying elements, aiming to explore the complex relationship between these elements and the thermoelectric properties of the host materials. The web-based interactive data platform enables efficient management and utilization of experimental and computational datasets, supporting the acceleration of data-driven materials research and autonomous material synthesis.
Article
Chemistry, Physical
Jin Wook Yoo, Eunseo Noh, Jihun Jang, Kyoung Su Lee, Junseop Byeon, Mansoo Choi, Jino Im, Sang Il Seok
Summary: The higher thermodynamic stability of formamidinium lead triiodide (FAPbI3) in the yellow non-perovskite (8-phase) compared to the black perovskite (a-phase) at room temperature leads to spontaneous transition from the a-phase to the 8-phase. However, band gap broadening and halide segregation limit the stabilization of a-FAPbI3 through alloying the perovskite composition. In this study, the a-phase of FAPbI3 was stabilized without band gap broadening using R4N+ cations and Cl- anions. This led to the fabrication of high-efficiency perovskite solar mini-modules (PSMs) with a maximum power conversion efficiency (PCE) of 20.33% (certified 21.23%, 36.4-cm2 area). The encapsulated PSM retained 93% of its initial PCE after 870 hours under continuous one-sun illumination.
Article
Computer Science, Artificial Intelligence
Ying Meng, Fengyuan Shi, Lixin Tang, Defeng Sun
Summary: Reinforcement learning is a promising approach for learning and decision-making in dynamic environments. This article explores reducing the action space in reinforcement learning using supermodularity. By applying monotone comparative statics, a monotonicity cut is proposed to remove unpromising actions from the action space. Evaluation on benchmark datasets and comparison with popular baseline algorithms demonstrate the effectiveness of the monotonicity cut in improving the performance of reinforcement learning.
IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS
(2023)
Article
Materials Science, Multidisciplinary
Maria Maniadi, Nicolas Mercier, Alla Skorokhod, Maroua Ben Haj Salah, Pierre Bidaud, Pietrick Hudhomme, Claudio Quarti, Wei Li, David Beljonne, Jacky Even, Claudine Katan, Constantinos C. Stoumpos
Summary: In the field of perovskite solar cells, 3D/2D heterostructures are considered promising for efficient and stable devices. By designing and synthesizing a new dication, the researchers obtained 2D layered perovskites with short interlayer distances and unique electronic structures, making them potential candidates for PSC heterostructures.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Michael Fragkiadakis, Paraskevi-Kleio Anastasiou, Ioannis Volyrakis, Apostolos Pantousas, Constantinos C. Stoumpos, Constantinos G. Neochoritis
Summary: The article presents a strategy for utilizing CO2 as a carbon building block in organic synthesis, demonstrating a mild, one-pot methodology for the rapid preparation of N-heteroaryl substituted carbamates.
CHEMICAL COMMUNICATIONS
(2023)
