Article
Physics, Multidisciplinary
Sumit Mukherjee, Subhamay Pramanik, Sandip Das, Rajesh Mandal, Subhabrata Chakraborty, Amarnath Chattopadhyay, Tatan Ghosh, Sukanta Pal, Rajib Nath, Probodh K. Kuiri
Summary: The mode of incorporation of lithium in zinc oxide nanoparticles plays a significant role in determining their potential applications. This study explores the effects of substitution and interstitial doping of lithium in ZnO on structural, optical, and antimicrobial properties. The results demonstrate that the properties of Li-doped ZnO nanoparticles can be controlled suitably for practical applications of ZnO-based materials.
Article
Multidisciplinary Sciences
D. MacTaggart, C. Prior, B. Raphaldini, P. Romano, S. L. Guglielmino
Summary: Twisted flux tubes are important for understanding the emergence of solar active regions, and the magnetic winding method provides a clear signature of their emergence despite field deformation. This technique complements existing measures like magnetic helicity, allowing for direct identification of emerging twisted magnetic flux tubes.
NATURE COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Hanye Zhang, Qingyu Hou, Yulan Gu, Mude Qi
Summary: In this study, the effects of VZn and Ag doping with Hi on the magnetism and photocatalysis of ZnO were investigated using the MOCVD method in a vacuum environment. The results showed that Zn34Ag2+HiO36(VZn0) had the best thermodynamic stability under O-rich conditions, and exhibited a relatively long electronic lifetime, strong visible light absorption ability, high carrier activity, and strong reduction ability.
Article
Engineering, Electrical & Electronic
Mude Qi, Qingyu Hou, Shulin Sha, Meixu Chen
Summary: This study investigates the effects of Be/Mg/Ca doping, Zn vacancies, and H interstitial on the magnetic and optical properties of ZnO using density functional theory. The main source of O ion magnetism in the doping system is found to be O1- ions with itinerant electrons. Doping of the H interstitial can reduce formation energy and increase system stability, with the Zn34MgHiO36 system showing the best photocatalytic performance for H production. Overall, this research provides valuable theoretical insights for the development of new magneto-optical functional materials.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Chemistry, Physical
Chang Gao, Yu Zhao, Weili Li, Lu Jing, Yulong Qiao, Zhao Wang, Jie Sheng, Lidong Wang, Weidong Fei
Summary: This study reports the high performance anomalous photovoltaic effect observed under white light in Zn1-2x(FexLix)O films fabricated by a low-cost sol-gel process. The photovoltaic effects are found to be closely related to the ferroelectricity of the films, and a photo-to-electron conversion model is proposed to explain the mechanism.
Article
Chemistry, Multidisciplinary
Fernanado Pavon, Ana Urbieta, Paloma Fernandez
Summary: ZnO nano- and microstructures co-doped with Eu and Li were grown using a solid vapor method. The morphologies of the structures varied depending on the initial Li content, and changes in crystallographic planes led to these morphological differences. X-ray diffraction and Raman spectroscopy confirmed the crystalline quality of the structures. The luminescence properties were also investigated, showing variations in intensity and peak position. These structures have potential applications in photonics due to their good luminescent emissions and high refraction index.
APPLIED SCIENCES-BASEL
(2022)
Article
Materials Science, Multidisciplinary
Airong Yang, Qingyu Hou, Xiang Yin, Shulin Sha
Summary: This study investigated the effects of Sm doping on ZnO system using first-principle calculations, focusing on formation energy, photocatalysis, and magnetic mechanism under different strain conditions. The research also highlighted the influence of interstitial H on carrier lifetime and the various factors affecting the photocatalytic performance of the doped system. The Zn34SmHiO36 system showed promising photocatalytic properties under -4% compressive strain, with interstitial H improving the magnetic properties of the doped system.
Article
Chemistry, Physical
Sergio Conejeros, M. Zamir Othman, Alex Croot, Judy N. Hart, Kane M. O'Donnell, Paul W. May, Neil L. Allan
Summary: This study reports the energetics and electronic properties of Li and N co-doped diamond, with emphasis on the behavior of LiCN4 clusters as potential shallow donors. The results suggest that substitutional Li, when combined with N, may stabilize the LiCN4 cluster to exhibit shallow donor behavior.
Article
Physics, Condensed Matter
Mude Qi, Qingyu Hou, Yong Li, Yulan Gu, Airong Yang
Summary: This study investigated the influence of Be/Mg/Ca doping and the coexistence of Zn vacancies and H interstitial on the conductivity of ZnO using density functional theory. It was found that the Zn34MHiO36 system had lower formation energy, and the doped systems parallel to the c-axis direction exhibited higher hole mobility and conductivity.
SOLID STATE COMMUNICATIONS
(2022)
Article
Nanoscience & Nanotechnology
Jie Wang, Hailin Pan, Xiaoyun Xu, Hui Jin, Wenjia Ma, Shaobing Xiong, Qinye Bao, Zheng Tang, Zaifei Ma
Summary: In this study, lithium-doped zinc oxide (Li-ZnO) films were used as the cathode interlayer to construct inverted organic solar cells (OSCs), addressing the issue of increased photoactive area due to the high conductivity of UV-treated zinc oxide (ZnO) interlayer. The incorporation of Li ions reduced the lateral conductivity of UV-treated ZnO films, leading to improved performance and increased long-term stability in the solar cells.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Electrical & Electronic
Patrik Scajev, Ramona Durena, Pavels Onufrijevs, Saulius Miasojedovas, Tadas Malinauskas, Sandra Stanionyte, Aleksej Zarkov, Anzelms Zukuls, Ivita Bite, Krisjanis Smits
Summary: Doping ZnO by lithium ions using a new microwave-assisted solvothermal method can enhance the photoluminescence intensity of ZnO emissions in the UV region. The photoluminescence intensity increases up to an order of magnitude with the increase of Li content in the ZnO crystals.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2021)
Article
Engineering, Environmental
Yuhang Hu, Hao Li, Zidong Chen, Wanglai Cen, Qiang Wang, Yungui Chen, Ali Davoodi, Wei Liu
Summary: Researchers found that doping Li with 8.9 at% Sn can create a Li-Li22Sn5 dual-phase alloy with impressive processability, allowing the fabrication of thin foils. The textured Li-alloy exhibits stable plate-strip cycling and improved performance.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Environmental Sciences
Karanpal Singh, Nancy, Harpreet Kaur, Pushpender Kumar Sharma, Gurjinder Singh, Jagpreet Singh
Summary: The study synthesized undoped and Cobalt-doped zinc oxide nanoparticles (Co doped ZnO NPs) and confirmed the incorporation of the Co dopant through spectroscopic and microscopic techniques. The Co-doped ZnO NPs showed a red shift in the UV-absorption spectra and a decrease in band gap value, indicating successful integration of Co2+ ions into the ZnO matrix. The synthesized NPs exhibited excellent photocatalytic and antimicrobial activity, with 1% Co-doped ZnO showing the highest photocatalytic efficiency.
Article
Materials Science, Multidisciplinary
M. Rahman, M. Kamruzzaman, J. A. Zapien, R. Afrose, T. K. Anam, M. N. H. Liton, M. A. Helal, M. K. R. Khan
Summary: Elemental doping is an efficient strategy to modulate different properties of semiconductors, and this study investigates the conversion from n-type to p-type and band gap modulation of ZnO using both theoretical and experimental approaches. The results show that silver (Ag) and silver-lithium (Ag-Li) doping can create acceptor levels in ZnO, making them promising dopants for generating p-type ZnO. Significant changes in photoconductivity and optical properties are also observed. This study helps in understanding the doping mechanism in ZnO and provides insights for the fabrication of p-type ZnO for advanced electronic and opto-electronic applications.
MATERIALS TODAY COMMUNICATIONS
(2022)
Editorial Material
Oncology
Luc Van Kaer
Summary: A study shows that the transcription factor LEF1 can optimize the functional properties of iNKT cells and enhance their antitumor immunity, suggesting the potential of developing robust cancer immunotherapies based on CAR-modified iNKT cells.
CANCER IMMUNOLOGY RESEARCH
(2023)
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)