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Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi   +2 more
wiley   +1 more source

Shaping Ti3C2 MXene Nanospheres for Precision Near‐Infrared Photothermal Therapy

open access: yesAdvanced Functional Materials, EarlyView.
In this study, we report producing spherical MXenes via fs laser fragmentation of Ti3C2 flakes in liquid medium. The nanoparticles demonstrated pronounced light absorption and high photothermal conversion efficiencies of 68% and 63% under heating with NIR‐I and NIR‐II lasers, respectively.
Julia S. Babkova   +21 more
wiley   +1 more source
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Self-employment within the Firm

SSRN Electronic Journal, 2023
We study the internal organization of manufacturing firms in Uganda. We measure what people do within firms and find limited specialization, far below what is feasible given the prevailing production process and average firm size of 5.7 workers. We build and estimate an occupational choice model in which firm size, productivity, and specialization ...
Bassi, Vittorio   +5 more
openaire   +2 more sources

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