Articles with "atomistic insights" as a keyword



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Atomistic Insights into the Origin of High-Performance Thermoelectric Response in Hybrid Perovskites.

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Published in 2023 at "Advanced science"

DOI: 10.1002/advs.202300666

Abstract: Due to their tantalizing prospect of heat-electricity interconversion, hybrid organic-inorganic perovskites have sparked considerable research interests recently. Nevertheless, understanding their complex interplay between the macroscopic properties, nonintuitive transport processes, and basic chemical structures still remains… read more here.

Keywords: performance thermoelectric; insights origin; atomistic insights; origin high ... See more keywords
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Atomistic Insights into the Droplet Size Evolution during Self-Microemulsification

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Published in 2022 at "Langmuir"

DOI: 10.1021/acs.langmuir.1c03099

Abstract: Microemulsions have been attracting great attention for their importance in various fields, including nanomaterial fabrication, food industry, drug delivery, and enhanced oil recovery. Atomistic insights into the self-microemulsifying process and the underlying mechanisms are crucial… read more here.

Keywords: size evolution; droplet; atomistic insights; size ... See more keywords
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Atomistic Insights into A315E Mutation-Enhanced Pathogenicity of TDP-43 Core Fibrils.

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Published in 2022 at "ACS chemical neuroscience"

DOI: 10.1021/acschemneuro.2c00416

Abstract: The aggregation of TAR DNA-binding protein of 43 kDa (TDP-43) into fibrillary deposits is implicated in amyotrophic lateral sclerosis (ALS), and some hereditary mutations localized in the low complexity domain (LCD) facilitate the formation of… read more here.

Keywords: shaped protofilaments; atomistic insights; a315e mutation; tdp ... See more keywords
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Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals

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Published in 2021 at "Nature Communications"

DOI: 10.1038/s41467-021-23290-x

Abstract: Despite the large number of reports on colloidal nanocrystals, very little is known about the mechanistic details in terms of nucleation and growth at the atomistic level. Taking bimetallic core-shell nanocrystals as an example, here… read more here.

Keywords: seed; nucleation growth; atomistic insights; insights nucleation ... See more keywords
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Atomistic Insights into the Phase Transformation of Single-Crystal Silicon during Nanoindentation

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Published in 2022 at "Nanomaterials"

DOI: 10.3390/nano12122071

Abstract: The influence of the indenter angle on the deformation mechanisms of single-crystal Si was analyzed via molecular dynamics simulations of the nanoindentation process. Three different types of diamond conical indenters with semi-angles of 45°, 60°,… read more here.

Keywords: single crystal; insights phase; atomistic insights; nanoindentation ... See more keywords