Article
Nanoscience & Nanotechnology
Yingdong Zhang, Fusen Yuan, Fuzhou Han, Muhammad Ali, Wenbin Guo, Jie Ren, Geping Li, Chengze Liu, Hengfei Gu, Gaihuan Yuan
Summary: The direct evidence of stress-induced face-centered cubic (FCC) zirconium was reported for the first time using in-situ electron backscatter diffraction (EBSD) and indentation observation. Two orientation relations (OR) (B-type and P type) between hexagonal close-packed (HCP) and FCC phases were detected, with the rotation axis and angle identified as [101] and 52.1 degrees, respectively. Mechanisms of HCP -> FCC phase transformation involve partial dislocation gliding theory and shuffle displacement.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Chemistry, Physical
Endong Wang, Yi Gao
Summary: Thiolate-protected Au nanoclusters have been widely studied in various fields, and the detachment of thiolate ligands has been explored using density functional theory calculations. The study found a linear relationship between detachment energies and the number of Au atoms, with longer motifs requiring more energy due to stronger aurophilic effects. Detachment of shorter motifs generally needs less energy and leads to less structural deformation compared to full motif removal. Molecular orbital analysis showed elevated energies of HOMO orbitals, narrowing the HOMO-LUMO gap.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Wenhua Han, Gang Wang, Pengye Liu, Wenliang Li, Wen Wu Xu
Summary: This paper predicts three new atomic structures of medium-sized thiolate-protected gold nanoclusters and explores the structural evolution rules underlying them. It is also found that these newly predicted gold nanoclusters have high stabilities.
NANOSCALE ADVANCES
(2023)
Article
Nanoscience & Nanotechnology
Fengmei Bai, Libo Yin, Wei Zhao, Hongwei Zhou, Meng Song, Yanchun Liu, Xianghua Liu
Summary: In annealed samples at room temperature, the deformation behavior of the face-centered cubic (FCC) phase was directly observed using Transmission Electron Microscope (TEM). It was found that the FCC phase exhibits excellent plastic deformation capability and undergoes various deformation modes such as shearing, bending, and kinking during cold-rolling. As strain increases, the globularization of the FCC phase becomes more apparent, leading to refined grains and improved ductility through the kinking of the FCC band structure. The globularization behavior of the FCC phase is similar to that of the alpha/beta lamellar starting structure in titanium alloy at high temperatures, providing new insights for the design of microstructure and properties of titanium and its alloys.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Article
Nanoscience & Nanotechnology
Yingdong Zhang, Geping Li, Fusen Yuan, Fuzhou Han, Muhammad Ali, Wenbin Guo, Jie Ren
Summary: The study observed simultaneous FCC twin, FCC -> 9R, and 9R -> 12R' transformations in cold-rolled pure Hf. These transformations were related to the extension and collective gliding of partial or full dislocations on different basal planes during the deformation process.
SCRIPTA MATERIALIA
(2022)
Article
Chemistry, Inorganic & Nuclear
Yuki Chiga, Ryo Takahata, Wataru Suzuki, Yoshiyuki Mizuhata, Norihiro Tokitoh, Toshiharu Teranishi
Summary: This article demonstrates the isomer-selective conversion of Au-18(ScC6)(14) into Au-24(SR)( x )(ScC6)(20-x ) by reactions with gold(I) thiolate complexes. The results suggest that the number of AuSR units increases in the surface Au(I)SR oligomers, while the number of electrons in the Au core remains constant. This discovery provides an important synthetic route for rational design.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Zhi-Hui Wen, Dong-Wei Wang, Li Ma
Summary: Inspired by the face-centered cubic crystal structure, a new ultra-lightweight composite sandwich panel with a face-centered cubic core (CSPFCC) is proposed, demonstrating excellent sound insulation and mechanical properties. Experimental and numerical studies show that CSPFCC outperforms traditional sandwich structures, with numerical analysis revealing the influence of various factors on its acoustic properties. Additionally, comparison with a composite quadrilateral honeycomb sandwich structure indicates the superior sound insulation performance and quasi-isotropic properties of CSPFCC, providing valuable insights for further research and engineering applications.
MECHANICS OF ADVANCED MATERIALS AND STRUCTURES
(2021)
Article
Materials Science, Multidisciplinary
Wenbin Guo, Fuzhou Han, Geping Li, Yingdong Zhang, Muhammad Ali, Jie Ren, Qichen Wang, Fusen Yuan
Summary: The mechanism of the FCC to HCP reverse phase transformation in FCC-Zr, along with a 70.5 degrees rotation of the alpha-Zr matrix, was investigated using transmission electron microscopy. The findings suggest that the interaction between secondary phase particles and FCC-Zr grains leads to the formation of cross stacking faults, exerting a drag force on the adjacent FCC-Zr phase. Furthermore, under certain shear stress conditions, the stacking sequence changes, resulting in the reverse phase transformation from FCC to HCP in FCC-Zr.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Physical
Lin Xiong, Yong Pei
Summary: By studying the electronic structure and optical absorption properties of gold clusters, the critical size for the transition from a nonmetallic state to a metallic state in cuboid gold nanocrystals is determined to be Au-264(SH)(96).
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Physics, Applied
Yuanze Sun, Xueke Yu, Wenwu Xu, Yan Su, Jijun Zhao
Summary: This study successfully predicted the geometric structure of thiolate-protected gold nanoclusters Au-44(SR)(32) and analyzed its absorption spectra and energy levels. The findings enhance our understanding of these nanoclusters and validate the effectiveness and applicability of the models used in this study.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Jianan Hu, Yingdong Zhang, Fuzhou Han, Wenbin Guo, Muhammad Ali, Jie Ren, Qichen Wang, Geping Li
Summary: This study investigated the variants of face-centered cubic (FCC) phase during the hexagonal close-packed (HCP) to FCC phase transformation. By using pole fig. analysis and selected area electron diffraction simulations, the researchers found that different variants of FCC phase can be generated during the phase transformation, with distinct crystallographic characteristics.
MATERIALS CHARACTERIZATION
(2023)
Article
Chemistry, Physical
Xueke Yu, Yuanze Sun, Wen-Wu Xu, Junyu Fan, Junfeng Gao, Xue Jiang, Yan Su, Jijun Zhao
Summary: Heteroatom substitution of gold nanoclusters allows for precise tuning of their physicochemical properties at the single-atom level, which has significant implications for applications related to excited states. In this study, the effect of metal exchange on the electronic and vibrational properties as well as excited-state dynamics of ligand-protected MAu24(SR)(18) nanoclusters was investigated using density functional theory and time-domain nonadiabatic molecular dynamics simulations.
NANOSCALE HORIZONS
(2022)
Article
Chemistry, Multidisciplinary
Feng Hu, Heng-Wang Luyang, Rui-Lin He, Zong-Jie Guan, Shang-Fu Yuan, Quan-Ming Wang
Summary: This study demonstrates that tetradentate formamidinate ligands can be used to construct fcc silver nanoclusters and selectively passivate crystal facets. The optical absorption bands of Ag52 and Ag53 have been investigated using time-dependent density functional theory.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Qing Yao, Sheng-Yao Lv, Zhiyong Yu, Yu-Chung Chang, Chih-Wen Pao, Zhiwei Hu, Li-Ming Yang, Xiaoqing Huang, Qi Shao, Jianmei Lu
Summary: A unique core-shell structure of structurally disordered Cu(2)O (core) and fcc Ru (shell) (Cu2O@Ru-fcc) was successfully prepared via a facile chemical method. The fcc Ru structure of Cu2O@Ru-fcc showed good thermal stability and superior electrocatalytic performance in hydrogen evolution and hydrogen oxidation reactions, highlighting the potential of designing fcc Ru nanocrystals with favorable properties and promising applications.
Article
Chemistry, Physical
Yuxin Liu, Wenhua Han, Zeen Hong, Wen Wu Xu, Endong Wang
Summary: The charge states of thiolate-protected gold nanoclusters are found to be correlated with the core structural packing, especially the number of Au-3(2e) elementary blocks. By controlling the number of Au-3(2e) blocks, new AuNCs can be predicted. This study bridges the gap between the charge states, core structures, and ligand detachment of nanoclusters using the grand unified model.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Pu Wang, Xiangxiang Sun, Xia Liu, Lin Xiong, Zhongyun Ma, Yong Wang, Yong Pei
Review
Chemistry, Multidisciplinary
Yong Pei, Pu Wang, Zhongyun Ma, Lin Xiong
ACCOUNTS OF CHEMICAL RESEARCH
(2019)
Article
Chemistry, Physical
Xiaomei Zhao, Pu Wang, Zhongyun Ma, Yong Pei
JOURNAL OF PHYSICAL CHEMISTRY C
(2019)
Article
Chemistry, Inorganic & Nuclear
Zhaoran Hao, Kai Zhang, Pu Wang, Xumin Lu, Zhiyun Lu, Weiguo Zhu, Yu Liu
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Zhaoran Hao, Kai Zhang, Kuan Chen, Zhiyun Lu, Pu Wang, Weiguo Zhu, Yu Liu
CHEMISTRY-AN ASIAN JOURNAL
(2020)
Article
Chemistry, Multidisciplinary
Jiao Peng, Pu Wang, Bingxin Wang, Lin Xiong, Hengzhi Liu, Yong Pei, Xiao Cheng Zeng
Summary: By proposing an intermolecular association and decarboxylation mechanism, the experimental evidence of stepwise 2e(-) hopping in reductant-assisted thiolate-gold cluster synthesis is successfully understood. A total of 19 molecular-like reaction equations are deduced to comprehensively explore the atomic pathways of cluster-size evolution, revealing the role of CO in the 2e(-) hopping process.
Article
Chemistry, Multidisciplinary
Jing Li, Pu Wang, Yong Pei
Article
Chemistry, Multidisciplinary
Zhonghua Qu, Pu Wang, Xing Chen, Guo-Jun Deng, Huawen Huang
Summary: A visible-light-driven photochemical Cadogan-type cyclization has been discovered, utilizing the organic D-A type photosensitizer 4CzIPN to efficiently transfer energy and enable access to carbazoles and related heterocycles. Experimental and DFT calculation results demonstrate the robust synthetic capacity and good tolerance of various functionalities in this reaction system.
CHINESE CHEMICAL LETTERS
(2021)
Article
Chemistry, Physical
Pu Wang, Jiao Peng, Yong Pei
Summary: The proposed Au2S network model allows for the study of the structural evolution and formation mechanism of quasi-face-centered-cubic gold clusters, predicting new clusters and understanding their formation pathways through the evolution of their Au-S frameworks.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Lanyan Li, Pu Wang, Yong Pei
Summary: The mechanism of reductive synthesis of gold-thiolate nanoclusters from gold(I)-thiolate oligomers under boron hydride reduction is studied. AIMD simulations show that the interaction between BH4- and gold(I)-thiolate oligomers leads to the formation of active intermediates containing an Au-H-O-Au-H-Au moiety. These active intermediates interact with gold(I)-thiolate oligomers or other active intermediates to form Au-Au bonds and 2e-building blocks. DFT calculations propose and verify the pathways of formation of 2e-building blocks, indicating that the hydride on Au-H and Au-H-Au moieties acts as a nucleophilic agent to attack gold atoms and lead to the formation of new Au-Au bonds. This newly discovered nucleation mechanism is applied to understand the formation of 2e-cluster Au15(SR)13and 4e-cluster Au16(SR)12.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Shuang Chen, Ying Liu, Kaiyang Kuang, Bing Yin, Xiaojian Wang, Lirong Jiang, Pu Wang, Yong Pei, Manzhou Zhu
Summary: This study investigates the electrochemiluminescence (ECL) properties of two metal nanoclusters, Au-20(SAdm)(12)(CHT)(4) and Au-20(TBBT)(16), revealing the impact of the metal core on their ECL behavior in solution-state and solid-state. The results provide insight into structure-property relationships and offer potential applications in sensing and immunoassay platforms based on atomically precise emissive metal nanoclusters.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Shiyao Deng, Jing Li, Pu Wang, Yong Pei
Summary: The study investigates the structural stability of gold cage Au-144 clusters using density functional theory (DFT) energy calculation and energy decomposition analysis (EDA). It shows that the formation of hollow cages in Au-144 clusters is attributed to significant Pauli repulsion, leading to decreased formation energy. Additionally, Au-144 clusters are unique in size compared to smaller and larger clusters that prefer different structures.
Article
Chemistry, Multidisciplinary
Xiaochen Ji, Qiong Liu, Zhongzhen Wang, Pu Wang, Guo-Jun Deng, Huawen Huang
Article
Chemistry, Multidisciplinary
Liang Yang, Pu Wang, Zhenhua Yang, Yong Pei
Article
Chemistry, Physical
Xiaomei Zhao, Xia Liu, Baoyu Huang, Pu Wang, Yong Pei
JOURNAL OF MATERIALS CHEMISTRY A
(2019)
Article
Chemistry, Multidisciplinary
Laetitia Bardet, Herve Roussel, Stefano Saroglia, Masoud Akbari, David Munoz-Rojas, Carmen Jimenez, Aurore Denneulin, Daniel Bellet
Summary: The thermal instability of silver nanowires leads to increased electrical resistance in AgNW networks. Understanding the relationship between structural and electrical properties of AgNW networks is crucial for their integration as transparent electrodes in flexible optoelectronics. In situ X-ray diffraction measurements were used to study the crystallographic evolution of Ag-specific Bragg peaks during thermal ramping, revealing differences in thermal and structural transitions between bare and SnO2-coated AgNW networks.
Article
Chemistry, Multidisciplinary
Nathalia Cancino-Fuentes, Arnau Manasanch, Joana Covelo, Alex Suarez-Perez, Enrique Fernandez, Stratis Matsoukis, Christoph Guger, Xavi Illa, Anton Guimera-Brunet, Maria V. Sanchez-Vives
Summary: This study provides a comprehensive characterization of graphene-based solution-gated field-effect transistors (gSGFETs) for brain recordings, highlighting their potential clinical applications.
Article
Chemistry, Multidisciplinary
Sikandar Aftab, Hailiang Liu, Dhanasekaran Vikraman, Sajjad Hussain, Jungwon Kang, Abdullah A. Al-Kahtani
Summary: This study examines the effects of hybrid nanoparticles made of NiO@rGO and NiO@CNT on the active layers of polymer solar cells and X-ray photodetectors. The findings show that these hybrid nanoparticles can enhance the charge carrier capacities and exciton dissociation properties of the active layers. Among the tested configurations, the NiO@CNT device demonstrates superior performance in converting sunlight into electricity, and achieves the best sensitivity for X-ray detection.
Article
Chemistry, Multidisciplinary
Hyo Jung Shin, Seung Gyu Choi, Fengrui Qu, Min-Hee Yi, Choong-Hyun Lee, Sang Ryong Kim, Hyeong-Geug Kim, Jaewon Beom, Yoonyoung Yi, Do Kyung Kim, Eun-Hye Joe, Hee-Jung Song, Yonghyun Kim, Dong Woon Kim
Summary: This study investigates the role of SOX9 in reactive astrocytes following ischemic brain damage using a PLGA nanoparticle plasmid delivery system. The results demonstrate that PLGA nanoparticles can reduce ischemia-induced neurological deficits and infarct volume, providing a potential opportunity for stroke treatment.
Article
Chemistry, Multidisciplinary
Anurag Chaudhury, Koushik Debnath, Nikhil R. Jana, Jaydeep K. Basu
Summary: The study investigates the interaction between nanoparticles and cell membranes, and identifies key parameters, including charge, crowding, and membrane fluidity, that determine the adsorbed concentration and unbinding transition of nanoparticles.
Article
Chemistry, Multidisciplinary
Sina Sadeghi, Fazel Bateni, Taekhoon Kim, Dae Yong Son, Jeffrey A. Bennett, Negin Orouji, Venkat S. Punati, Christine Stark, Teagan D. Cerra, Rami Awad, Fernando Delgado-Licona, Jinge Xu, Nikolai Mukhin, Hannah Dickerson, Kristofer G. Reyes, Milad Abolhasani
Summary: In this study, an autonomous approach for the development of lead-free metal halide perovskite nanocrystals is presented, which integrates a modular microfluidic platform with machine learning-assisted synthesis modeling. This approach enables rapid and optimized synthesis of copper-based lead-free nanocrystals.
Article
Chemistry, Multidisciplinary
Zahir Abbas, Nissar Hussain, Surender Kumar, Shaikh M. Mobin
Summary: The rational construction of free-standing and flexible electrodes for electrochemical energy storage devices is an emerging research focus. In this study, a redox-active metal-organic framework (MOF) was prepared on carbon nanofibers using an in situ approach, resulting in a flexible electrode with high redox-active behavior and unique properties such as high flexibility and lightweight. The prepared electrode showed excellent cyclic retention and rate capability in supercapacitor applications. Additionally, it could be used as a freestanding electrode in flexible devices at different bending angles.
Article
Chemistry, Multidisciplinary
Lishan Zhang, Xiaoting Zhang, Hui Ran, Ze Chen, Yicheng Ye, Jiamiao Jiang, Ziwei Hu, Miral Azechi, Fei Peng, Hao Tian, Zhili Xu, Yingfeng Tu
Summary: Photodynamic therapy (PDT) is a promising local treatment modality in cancer therapy, but its therapeutic efficacy is restricted by ineffective delivery of photosensitizers and tumor hypoxia. In this study, a phototactic Chlorella-based near-infrared (NIR) driven green affording-oxygen microrobot system was developed for enhanced PDT. The system exhibited desirable phototaxis and continuous oxygen generation, leading to the inhibition of tumor growth in mice. This study demonstrates the potential of using a light-driven green affording-oxygen microrobot to enhance photodynamic therapy.
Article
Chemistry, Multidisciplinary
Yujin Li, Jing Xu, Xinqi Luo, Futing Wang, Zhong Dong, Ke-Jing Huang, Chengjie Hu, Mengyi Hou, Ren Cai
Summary: In this study, hollow heterostructured materials were constructed using an innovative template-engaged method as cathodes for zinc-ion batteries. The materials exhibited fast Zn2+ transport channels, improved electrical conductivity, and controlled volume expansion during cycling. The designed structure allowed for an admirable reversible capacity and high coulombic efficiency.
Article
Chemistry, Multidisciplinary
Paritosh Mahato, Shashi Shekhar, Rahul Yadav, Saptarshi Mukherjee
Summary: This study comprehensively elucidates the role of the core and electrostatic surface of metal nanoclusters in catalytic reduction reactions. The electrostatic surface dramatically modulates the reactivity of metal nanoclusters.
Article
Chemistry, Multidisciplinary
Pei Liu, Mengdi Liang, Zhengwei Liu, Haiyu Long, Han Cheng, Jiahe Su, Zhongbiao Tan, Xuewen He, Min Sun, Xiangqian Li, Shuai He
Summary: This study demonstrates a simple and environmentally-friendly method for the synthesis of zinc oxide nanozymes (ZnO NZs) using wasted hop extract (WHE). The WHE-ZnO NZs exhibit exceptional peroxidase-like activity and serve as effective catalysts for the oxidation of 3,3,5,5-tetramethylbenzidine (TMB) in the presence of hydrogen peroxide (H2O2). In addition, a straightforward colorimetric technique for detecting both H2O2 and glucose was developed using the WHE-ZnO NZs as peroxidase-like catalysts.
Article
Chemistry, Multidisciplinary
Hyunkyu Oh, Young Jun Lee, Eun Ji Kim, Jinseok Park, Hee-Eun Kim, Hyunsoo Lee, Hyunjoo Lee, Bumjoon J. Kim
Summary: Mesoporous carbon particles have unique structural properties that make them suitable as support materials for catalytic applications. This study investigates the impact of channel nanostructures on the catalytic activity of porous carbon particles (PCPs) by fabricating PCPs with controlled channel exposure on the carbon surface. The results show that PCPs with highly open channel nanostructures exhibit significantly higher catalytic activity compared to those with closed channel nanostructures.
Article
Chemistry, Multidisciplinary
Yunjie Lu, Zhaohui Li, Zewei Li, Shihao Zhou, Ning Zhang, Jianming Zhang, Lu Zong
Summary: A tough, long-lasting adhesive and highly conductive nanocomposite hydrogel (PACPH) was fabricated via the synergy of interfacial entanglement and adhesion group densification. PACPH possesses excellent mechanical properties, interfacial adhesion strength, and conductivity, making it a promising material for long-term monitoring of human activities and electrocardiogram signals.
Article
Chemistry, Multidisciplinary
Zichao Wei, Audrey Vandergriff, Chung-Hao Liu, Maham Liaqat, Mu-Ping Nieh, Yu Lei, Jie He
Summary: We have developed a simple method to prepare polymer-grafted plasmonic metal nanoparticles with pH-responsive surface-enhanced Raman scattering. By using pH-responsive polymers as ligands, the aggregation of nanoparticles can be controlled, leading to enhanced SERS. The pH-responsive polymer-grafted nanoparticles show high reproducibility and sensitivity in solution, providing a novel approach for SERS without the need for sample pre-concentration.
Article
Chemistry, Multidisciplinary
Melis Ozge Alas Colak, Ahmet Gungor, Merve Buldu Akturk, Emre Erdem, Rukan Genc
Summary: This research investigates the effect of functionalizing carbon dots with hydroxyl polymers on their performance as electrode materials in a supercapacitor. The results show that the functionalized carbon dots exhibit excellent electrochemical performance and improved stability.
