Hybrid organic/inorganic perovskites have recently emerged as an important class of materials and have exhibited remarkable performance in photovoltaics. To further improve their device efficiency, an insightful understanding of the interfacial charge transfer (CT) process is required. Here, we report the first direct experimental observation of the tremendous effect that the shape of perovskite nanocrystals (NCs) has on interfacial CT in the presence of a molecular acceptor. A dramatic change in CT dynamics at the interfaces of three different NC shapes, spheres, platelets, and cubes, is recorded. Our results clearly demonstrate that the mechanism of CT is significantly affected by the NC shape. More importantly, the results demonstrate that complexation on the NC surface acts as an additional driving force not only to tune the CT dynamics but also to control the reaction mechanism at the interface. This observation opens a new venue for further developing perovskite NCs-based applications.
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http://dx.doi.org/10.1021/acs.jpclett.6b01910 | DOI Listing |
Langmuir
January 2025
Hubei Key Laboratory of Oil and Gas Exploration and Development Theory and Technology (China University of Geosciences), Wuhan 430074, China.
The strong solid-liquid interaction leads to the complicated occurrence characteristics of shale oil. However, the solid-liquid interface interaction and its controls of the occurrence state of shale oil are poorly understood on the molecular scale. In this work, the adsorption behavior and occurrence state of shale oil in pores of organic/inorganic matter under reservoir conditions were investigated by using grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations.
View Article and Find Full Text PDFNat Neurosci
January 2025
Department of Bioengineering, University of Pittsburgh, Pittsburgh, PA, USA.
The manner in which neural activity unfolds over time is thought to be central to sensory, motor and cognitive functions in the brain. Network models have long posited that the brain's computations involve time courses of activity that are shaped by the underlying network. A prediction from this view is that the activity time courses should be difficult to violate.
View Article and Find Full Text PDFAdv Exp Med Biol
January 2025
Department of Clinical Microbiology, Rigshospitalet, Copenhagen, Denmark.
Despite advances in healthcare, bacterial pathogens remain a severe global health threat, exacerbated by rising antibiotic resistance. Lower respiratory tract infections, with their high death toll, are of particular concern. Accurately replicating host-pathogen interactions in laboratory models is crucial for understanding these diseases and evaluating new therapies.
View Article and Find Full Text PDFSci Rep
January 2025
School of Engineering, Westlake University, Hangzhou, Zhejiang, China.
The film water, with an exceptional capacity to maintain a premelting, liquid-like state even under subzero conditions, provides a potential dynamic conduit for the movement of water in frozen soils. However, the distinctive structural and dynamic characteristics of film water have not been comprehensively elucidated. In this study, molecular dynamics (MD) simulations were conducted to examine the freezing of a system containing ice, water, silica, and gas.
View Article and Find Full Text PDFSci Total Environ
January 2025
National Laboratory for Agriculture and the Environment, Ames, IA 50011, USA.
Identifying the origins of storm fluvial particulate organic carbon (POC) provides information about the hydrological connectivity within the river corridor and the roles of the land-stream interface in the carbon cycle. However, current understanding of storm-induced POC source dynamics is constrained by observations limited in space and time. This study presents a unique approach integrating higher spatial and temporal resolution sampling with a multi-biomarker analysis to better understand POC source dynamics across scales.
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