As the field of nanocrystal-based optoelectronics matures, more advanced techniques must be developed in order to reveal the electronic structure of nanocrystals, particularly with device-relevant conditions. So far, most of the efforts have been focused on optical spectroscopy, and electrochemistry where an absolute energy reference is required. Device optimization requires probing not only the pristine material but also the material in its actual environment (i.e., surrounded by a transport layer and an electrode, in the presence of an applied electric field). Here, we explored the use of photoemission microscopy as a strategy for investigation of NC-based devices. We demonstrate that the method can be applied to a variety of materials and device geometries. Finally, we show that it provides direct access to the metal-semiconductor interface band bending as well as the distance over which the gate effect propagates in field-effect transistors.
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http://dx.doi.org/10.1021/acs.nanolett.2c04637 | DOI Listing |
Comput Biol Chem
January 2025
Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan.
The current study focuses on the potential of second-generation antihistamines, which exhibit fewer side effects compared to first-generation drugs, to block the Histamine H receptor (HR) and mitigate allergic responses. We screened several derivatives of second-generation drugs taking Desloratadine (Deslo) and Acrivastine (Acra) as seed compounds. We performed molecular docking, drug-likeness, quantum chemical calculations, UV-visible and infrared spectroscopy, molecular electrostatic potential (MEP) mapping for understanding drug derivatives potential as efficient drugs and molecular dynamics (MD).
View Article and Find Full Text PDFJ Comput Chem
January 2025
Centre for Inflammation, Centenary Institute and University of Technology Sydney, Faculty of Science, School of Life Sciences, Sydney, New South Wales, Australia.
Phosphodiesterase 5 (PDE5) inhibitors have shown great potential in treating Alzheimer's disease by improving memory and cognitive function. In this study, we evaluated fluspirilene, a drug commonly used to treat schizophrenia, as a potential PDE5 inhibitor using computational methods. Molecular docking revealed that fluspirilene binds strongly to PDE5, supported by hydrophobic and aromatic interactions.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Geology, College of Applied and Natural Sciences, Addis Ababa Science and Technology University, Addis Ababa, Ethiopia.
Coal is a critical energy resource for global industries, and its extraction from open-pit mines requires effective slope stability management to ensure safe and efficient operations. This study evaluates the slope stability of the Tolay open-pit coal mine in Ethiopia, located in the Jimma zone, where geological conditions, including basalt, mudstone, and weathered soil layers, influence slope behaviour. The primary objective was to assess slope stability and recommend optimization strategies for safer mining.
View Article and Find Full Text PDFISA Trans
January 2025
School of Control and Computer Engineering, North China Electric Power University, Beijing 102206, China.
Improving the flexible and deep peak shaving capability of supercritical (SC) unit under full operating conditions to adapt a larger-scale renewable energy integrated into the power grid is the main choice of novel power system. However, it is particularly challenging to establish an accurate SC unit model under large-scale variable loads and deep peak shaving. To this end, a data-driven modeling strategy combining Transformer-Extra Long (Transformer-XL) and quantum chaotic nutcracker optimization algorithm is proposed.
View Article and Find Full Text PDFEnviron Res
January 2025
Institute of Land Engineering and Technology, Shaanxi Provincial Land Engineering Construction Group Co., Ltd., Xi'an 710075, China; Shaanxi Provincial Land Engineering Construction Group, Key Laboratory of Degraded and Unused Land Consolidation Engineering, Ministry of Natural Resources, Xi'an 710075, China.
Surface greenness alters regional water storage by regulating hydrological processes, thereby modulating water constraints on ecosystem functions and feeding back sustainability. In semi-arid regions, excessive revegetation may exacerbate regional water resource depletion, intensify water limitations on ecosystems, and threaten long-term sustainability. However, these changes have not been adequately assessed.
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