Article
Materials Science, Multidisciplinary
Xu Li, Yuantian Zheng, Ronghua Ma, Zefeng Huang, Chunfeng Wang, Mingju Zhu, Fuchun Jiang, Yangyang Du, Xian Chen, Bolong Huang, Feng Wang, Bohan Wang, Yu Wang, Dengfeng Peng
Summary: By synthesizing a series of CaZnOS layer-structured powders doped with Sb3+, this work has achieved a wide range of mechanical luminescence spectra, adjustable photoluminescence with double peaks, and systematically studied the X-ray-induced luminescence characteristics. Furthermore, ultra-broad warm white light mechanical luminescence emission was achieved in Sb3+ and Bi3+ co-doped samples, showing potential applications in smart lighting, displays, stress sensors, and X-ray imaging and detection.
SCIENCE CHINA-MATERIALS
(2022)
Article
Optics
Su Zhou, Yao Cheng, Ju Xu, Hang Lin, Wenjia Liang, Yuansheng Wang
Summary: This work proposes a ratiometric dual-emitting mechanoluminescence (ML) strategy to achieve stress-sensitive ML color variation. The combination of Lanthanide/transition-metal is used to construct the dual-activator ML system. The difference in electronic configuration between Lanthanide and transition-metal ions plays a key role in the response of corresponding luminescence kinetics to stress-induced local crystal field environment changes.
LASER & PHOTONICS REVIEWS
(2022)
Article
Chemistry, Physical
Qizheng Dong, Cheng Huang, Xinyi Huang, Ling He
Summary: This study synthesized a series of multicolor luminescent Ca0.95-xZnOS: 0.05Bi3+, xEu3+ (x = 0-0.04) materials through the high-temperature solid-state reaction method. The introduction of Eu3+ led to an observed energy transfer process from Bi3+ to Eu3+. The photoluminescence (PL) color shifted from blue-green to red, and the afterglow (AG) shifted from blue to red as the concentration of Eu3+ increased. Furthermore, CaZnOS: Bi3+, Eu3+ exhibited red mechanoluminescence with the highest intensity at 3% Eu3+ concentration, which was 14% higher than CaZnOS: 0.05Bi3+. The ML intensity exhibited a linear correlation with the stress level and could be applied to stress sensing. Therefore, a light-emitting device composed of CaZnOS: Bi3+, Eu3+ and PDMS possessed three light-emitting modes: PL, AG, and ML, suitable for optical anti-counterfeiting.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Wei Li, Yiyu Cai, Jianqing Chang, Shanshan Wang, Jianjun Liu, Lei Zhou, Mingmei Wu, Jun-Cheng Zhang
Summary: This study presents a comprehensive characterization strategy to investigate the mechanoluminescence (ML) behaviors of doped CaZnOS materials. The results reveal that de-trapped materials exhibit non-trap-controlled ML, while trap-filled materials demonstrate both trap-controlled and non-trap-controlled ML, with trap-controlled ML being predominant. The non-trap-controlled ML is attributed to plastic ML and destructive ML phenomena, while trap-controlled ML is explained through the carrier de-trapping model.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Optics
Mingju Zhu, Jiangcheng Luo, Tianlong Liang, Yuantian Zheng, Xu Li, Zefeng Huang, Biyun Ren, Xianhui Zhang, Jianwei Li, Zitong Zheng, Junhao Wu, Yongle Zhong, Yu Wang, Chunfeng Wang, Dengfeng Peng
Summary: Mechanoluminescence crystals, which convert mechanical energy to optical energy directly, have attracted significant interest for visible stress sensing, flexible displays, and anti-counterfeiting. However, highly efficient red-emission semiconductors with ideal color rendering indices are relatively scarce among synthetic ML materials, limiting their future applications. This research reports the red ML emission in Mn-doped ZnGa2S4 prepared by a molten salt shielding synthesis method in air. The relationship between ML performance and crystal structure is revealed, which aids in developing new high-quality ML materials. The deep-red ML emission of Mn-doped ZnGa2S4 holds great promise for advanced flexible and stable displays and force/pressure sensor applications.
LASER & PHOTONICS REVIEWS
(2023)
Article
Chemistry, Multidisciplinary
Yingjie Zhao, Dengfeng Peng, Gongxun Bai, Youqiang Huang, Shiqing Xu, Jianhua Hao
Summary: Multimode luminescent materials enable visualization and noncontact sensing, which are crucial for flexible optoelectronics, information encryption, and infrastructure monitoring. These materials, capable of responding to different wavelengths of light and stress, have great potential applications in optical sensors, mechanical-to-optical energy conversion, and more.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Ismaila T. Bello, Kabir O. Otun, Gayi Nyongombe, Oluwaseun Adedokun, Guy L. Kabongo, Mokhotjwa S. Dhlamini
Summary: Mixed-phase Mn-doped MoS2 nanoflowers were synthesized and characterized for supercapacitor applications in this research. The nanoflowers exhibited a pseudo-capacitive behavior with a high specific capacitance, energy density, and power density, attributed to their mixed phase and unique structural properties.
Article
Chemistry, Multidisciplinary
Arunakumari Nulu, Young Geun Hwang, Venugopal Nulu, Keun Yong Sohn
Summary: In this study, nano/micro silicon particles were successfully prepared by a scalable process called ball milling, and then a metal-doped silicon/graphite composite was obtained through metal doping and high-temperature annealing with graphite. The composites showed high reversible capacities and improved Li+ diffusion properties, making them suitable for Li+ storage applications. The enhanced electrochemical properties were attributed to the synergistic effect of metal doping and graphite addition to silicon.
Article
Materials Science, Ceramics
Preeti Redhu, Preeti Sharma, Ashima Hooda, Anupinder Singh, Geeta Sharma, Rajesh Punia
Summary: Mn-doped Barium Calcium Titanate (BCT) ceramics showed an increase in average grain size with higher Mn content, along with a temperature-dependent dielectric study revealing a phase transformation from tetragonal to cubic phase, and an anomaly in the paraelectric region of the temperature-dependent dielectric constant curve. Ferroelectric study showed that a ceramic composition with x = 0.015 Mn content exhibited the highest remnant polarization and maximum polarization, as well as enhanced energy storage properties and large piezoelectric charge coefficient for applications in multilayer ceramic capacitors, energy storage, and high-power applications.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Shiping Wang, Jing Leng, Qi Sun, Chunyi Zhao, Shengye Jin
Summary: Doping transition metals into semiconductor nanocrystals can effectively tune their optical properties. Internal and external energy transfer processes can be utilized to extract and enhance energy conversion efficiency.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Materials Science, Multidisciplinary
Haoyan Leng, Yongke Yan, Bo Wang, Tiannan Yang, Hairui Liu, Xiaotian Li, Rammohan Sriramdas, Ke Wang, Mark Fanton, Richard J. Meyer, Long-Qing Chen, Shashank Priya
Summary: This study addresses the challenge of achieving simultaneous presence of hard and soft piezoelectric properties and demonstrates the ultrahigh combined soft and hard piezoelectric properties of MnO2 and CuO co-doped Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ceramics. The outstanding electromechanical properties are explained by considering composition/phase selection, crystallographic anisotropy, and defect engineering.
Article
Engineering, Electrical & Electronic
Weipeng Liu, Benwei Zhou, Hualong Wang, Xinyao Geng, Shu Li, Lu Liu, Yi Du, Chuanbing Cheng
Summary: Metal oxide doping has a significant impact on the microstructure and electrical properties of KNN-based ceramic, and even a small amount of dopant can generate large changes in electrical properties. The doping features vary depending on the metal oxide used for doping.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Physics, Multidisciplinary
J. Jesenovec, C. Pansegrau, M. D. McCluskey, J. S. McCloy, T. D. Gustafson, L. E. Halliburton, J. B. Varley
Summary: This study finds that exposure of Cu-doped beta-Ga2O3 to UV light (>4 eV) causes large, persistent photo induced darkening at room temperature. Light exposure converts Cu2+ to Cu3+ and leads to the appearance of O-H vibrational modes. Cu acceptors can form favorable complexes with hydrogen donors, and when these complexes absorb light, hydrogen is released, resulting in the formation of Cu3+ species and O-H modes.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
R. Archana, S. Kavita, V. V. Ramakrishna, V. Suresh Kumar, Pramod Bhatt, S. M. Yusuf, R. Gopalan
Summary: Ni 43Mn 46Sn11-xTex(x = 0.1, 0.2, 0.3, 0.4, 0.5, 1) alloys were prepared by arc melting. Structural studies revealed the presence of L21 cubic austenite phase. The martensite phase and lattice constant decrease with increasing Te concentration. All alloys exhibit first-order phase transition. The martensite temperature increases successively with increasing Te concentration. A non-linear magnetic entropy change and thermal hysteresis were observed with increasing Te concentration. The magnetocaloric effect was observed over a broad temperature range by varying the Te concentration. The tunable martensite temperature and magnetocaloric properties with Te concentration make these alloys useful for magnetic refrigeration applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Jia Tong, Jun Huan, Xin Yu, Jia-Hui Cheng, Zhi-Jun Zhang, Juan-Juan Xing, Jing-Tai Zhao, Xin-Xin Yang
Summary: In this study, a high valence ion doping strategy based on charge compensation is applied to rare-earth doped ZrO2, which successfully enhances the luminescence and stress-sensing properties. The ZrO2:0.005Sm(3+),0.003Nb(5+) sample exhibits a 75-fold increase in mechanoluminescence intensity and stable Tribo-ML can be observed with the naked eye. The afterglow emission intensity of the sample is also enhanced by 50 times after co-doping with Nb5+. Nb5+ not only acts as a charge compensator to enhance luminescence intensity but also changes the trap distribution, resulting in a new kind of deep trap suitable for mechanoluminescence.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Guangri Jia, Mingzi Sun, Ying Wang, Xiaoqiang Cui, Bolong Huang, Jimmy C. C. Yu
Summary: A brand-new type of photocatalyst (Ni-RPQD) is proposed by loading Ni single atoms on the P vacancy defects of the RP quantum dots, achieving efficient hydrogen production. The Ni-P sites act as electron antennas, resulting in a high hydrogen production rate, which is 224 times higher than that of the original RPQD and competitive with non-noble metal-based SAC photocatalysts. Theoretical explorations reveal that atomically dispersed Ni atoms lower the energy barrier for electron transfer, leading to enhanced water adsorption and faster dissociation for more efficient H2 generation.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Lingzheng Bu, Jiashun Liang, Fandi Ning, Ju Huang, Bolong Huang, Mingzi Sun, Changhong Zhan, Yanhang Ma, Xiaochun Zhou, Qing Li, Xiaoqing Huang
Summary: In this study, a new type of one-dimensional trimetallic platinum-iron-cobalt nanosaws was designed as fuel cell catalysts, which showed high activity for the oxygen reduction reaction (ORR) and outperformed commercial Pt/C catalysts by more than 25 times. The researchers also discovered the correlation between low-coordination platinum sites and electronic activities, ensuring high ORR activities. This work represents a new direction for practical fuel cell catalysts.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Mingzi Sun, Hon Ho Wong, Tong Wu, Qiuyang Lu, Lu Lu, Cheuk Hei Chan, Baian Chen, Alan William Dougherty, Bolong Huang
Summary: This study presents a comprehensive theoretical exploration of the full C-2 reaction pathway based on GDY-supported ACs, considering different metals and active sites. The double-dependence correlation between metal and active sites is identified, revealing the challenges for C-2 product generation. Transition metal based GDY-SACs are demonstrated as promising electrocatalysts to generate various C-2 products, while the formation of C2H4 is difficult. First-principle machine learning is used to predict reaction energy, with the critical role of intermediate adsorption in accurate predictions of multi-carbon products.
ADVANCED ENERGY MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Zefeng Huang, Bing Chen, Biyun Ren, Dong Tu, Zhaofeng Wang, Chunfeng Wang, Yuantian Zheng, Xu Li, Dong Wang, Zhanbing Ren, Sicen Qu, Zhuyang Chen, Chen Xu, Yu Fu, Dengfeng Peng
Summary: This paper provides a systematic review on the mechanoluminescence phenomena, mechanisms, material synthesis techniques, and related applications of strontium-aluminate-based luminescent materials. These materials exhibit a low threshold of mechanoluminescence, efficient photoluminescence, and persistent afterglow, making them suitable for applications in visible strain sensing and structural health monitoring.
Article
Multidisciplinary Sciences
Qiuyang Lu, Baiyang Zhang, Mingzi Sun, Lu Lu, Baian Chen, Hon Ho Wong, Cheuk Hei Chan, Tong Wu, Bolong Huang
Summary: Scientists have conducted theoretical calculations to study the interaction between protein segments of the SARS-Cov-2 spike protein and noble metal surfaces. The Au surface has shown the strongest binding preferences and induces electron transfer, leading to virus denaturation. This work provides a direct visualization of protein interactions with noble metal surfaces and can contribute to the development of anti-virus materials in the future.
Article
Chemistry, Multidisciplinary
Leilei Yin, Shuai Zhang, Mingzi Sun, Siyuan Wang, Bolong Huang, Yaping Du
Summary: This study reports cerium single atoms (Ce SAs) supported on a P, S, and N co-doped hollow carbon substrate (Ce SAs/PSNC) for the oxygen reduction reaction (ORR). The Ce SAs/PSNC exhibits excellent ORR stability and outperforms commercial Pt/C and most recent SACs. Ce SAs/PSNC-based liquid zinc-air batteries (ZABs) show a high and stable open-circuit voltage and a maximum power density. Theoretical calculations reveal that the introduction of S and P sites significantly modulate the electronic properties of Ce SA active sites, promoting the electroactivity of Ce SAs within the Ce SAs/PSNC.
ADVANCED MATERIALS
(2023)
Editorial Material
Multidisciplinary Sciences
Xiuwen Xu, Jie Cao, Dengfeng Peng, Bing Chen
News Item
Multidisciplinary Sciences
Biyun Ren, Bing Chen, Xianhui Zhang, Honglei Wu, Yu Fu, Dengfeng Peng
Article
Chemistry, Multidisciplinary
Lu Lu, Mingzi Sun, Tong Wu, Qiuyang Lu, Baian Chen, Cheuk Hei Chan, Hon Ho Wong, Bolong Huang
Summary: Transition metal single atom catalysts (SACs) have great potential for photocatalytic H2 production due to their abundant catalytic active sites and cost-effectiveness. Red phosphorus based SACs, as a promising support material, have been rarely investigated. In this study, we carried out theoretical investigations by anchoring transition metal atoms (Fe, Co, Ni, Cu) on red phosphorus, and achieved efficient photocatalytic H2 generation.
FRONTIERS IN CHEMISTRY
(2023)
Article
Chemistry, Physical
Yegang Liang, Qiuchun Lu, Wenqiang Wu, Zhangsheng Xu, Hui Lu, Zeping He, Yizhi Zhu, Yang Yu, Xun Han, Caofeng Pan
Summary: Metal halide perovskite photodetector arrays have great potential applications in integrated systems, optical communications, and health monitoring. However, the fabrication of large-scale and high-resolution devices is challenging due to their incompatibility with polar solvents. A universal fabrication strategy using ultrathin encapsulation-assisted photolithography and etching has been developed to create high-resolution photodetector arrays with vertical crossbar structure. This approach allows for the production of a 48 x 48 photodetector array with 317 ppi resolution. The devices demonstrate good imaging capability, with a high on/off ratio and long-term working stability over 12 hours. This fabrication strategy is also compatible with existing photolithography and etching techniques, making it suitable for other high-density and solvent-sensitive device arrays.
Review
Chemistry, Physical
Wenqiang Wu, Hui Lu, Xun Han, Chunfeng Wang, Zhangsheng Xu, Su-Ting Han, Caofeng Pan
Summary: Spectral sensing is crucial in various fields including imaging technologies and optical communication. The miniaturization and integration of commercial multispectral detectors are hindered by the complex optical elements required. Metal halide perovskites have emerged as a promising material for wavelength-selective photodetectors due to their tunable bandgap and simple preparation processes. This review highlights recent advances in wavelength-selective perovskite photodetectors, including narrowband, dual-band, multispectral-recognizable, and X-ray photodetectors, focusing on device structure designs, working mechanisms, and optoelectronic performances. The applications of wavelength-selective photodetectors in image sensing and the remaining challenges and perspectives are also discussed.
Article
Materials Science, Multidisciplinary
Jiaoya Huang, Runhui Zhou, Ziyu Chen, Yushu Wang, Zemin Li, Xiaoming Mo, Naiwei Gao, Jiang He, Caofeng Pan
Summary: Hydrogel-based capacitive strain sensors have been developed with a dry-resistant hydrogel electrode that maintains high mechanical stability in a dry environment. The sensors show ultra-high linearity, good uniformity, and robustness at different humidity levels. They have been successfully applied in real-time wearable sensing systems for human motion detection and human-machine interaction.
MATERIALS TODAY PHYSICS
(2023)
Article
Engineering, Manufacturing
Xuming Wang, Di Gao, Fang Su, Yuantian Zheng, Xu Li, Zhiyuan Liu, Changyong Liu, Pei Wang, Dengfeng Peng, Zhangwei Chen
Summary: In this paper, luminescent ZnS/CaZnOS:Mn2+ ceramic parts were prepared via vat photopolymerization 3D printing, and their potential applications were discussed. The study combines luminescent materials with 3D printing technology to produce complex components with low surface roughness and high chemical stability.
ADDITIVE MANUFACTURING
(2023)
Review
Chemistry, Physical
Hui Lu, Wenqiang Wu, Zeping He, Xun Han, Caofeng Pan
Summary: In this review, the device types of perovskite-based photodetectors are introduced and the structural characteristics and corresponding device performances are analyzed. The typical construction methods suitable for the fabrication of perovskite photodetector arrays are highlighted, and the current development trends and their applications in image sensing are summarized. Major challenges are presented to guide the development of perovskite photodetector arrays.
NANOSCALE HORIZONS
(2023)
Review
Chemistry, Multidisciplinary
Naiwei Gao, Caofeng Pan
Summary: Intelligent ion gels with highly tunable properties have become powerful candidates in artificial intelligence, telemedicine, and health monitoring. Understanding the relationship between the structure and function of ion gels is crucial to enhance their functionality. This review provides an overview of the synthesis and functional derivatives of ion gels, discussing their conformational relationships, electrical conductivity, sensing properties, and applications in bionic haptics, neural devices, artificial muscles, and intelligent displays. Smart ion gels may open up new possibilities in the future smart era after addressing current challenges.
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)
