Zitieren Sie bitte immer diesen URN: urn:nbn:de:kobv:b43-577722
An atomistic mechanism for elasto-plastic bending in molecular crystals
- Mechanically flexible single crystals of molecular materials offer potential for a multitude of new directions in advanced materials design. Before the full potential of such materials can be exploited, insight into their mechanisms of action must be better understood. Such insight can be only obtained through synergistic use of advanced experimentation and simulation. We herein report the first detailed mechanistic study of elasto-plastic flexibility in a molecular solid. An atomistic origin for this mechanical behaviour is proposed through a combination of atomic force microscopy, μ-focus synchrotron X-ray diffraction, Raman spectroscopy, ab initio simulation, and computed elastic tensors. Our findings suggest that elastic and plastic bending are intimately linked and result from extensions of the same molecular deformations. The proposed mechanism bridges the gap between contested mechanisms, suggesting its applicability as a general mechanism for elastic and plastic bending inMechanically flexible single crystals of molecular materials offer potential for a multitude of new directions in advanced materials design. Before the full potential of such materials can be exploited, insight into their mechanisms of action must be better understood. Such insight can be only obtained through synergistic use of advanced experimentation and simulation. We herein report the first detailed mechanistic study of elasto-plastic flexibility in a molecular solid. An atomistic origin for this mechanical behaviour is proposed through a combination of atomic force microscopy, μ-focus synchrotron X-ray diffraction, Raman spectroscopy, ab initio simulation, and computed elastic tensors. Our findings suggest that elastic and plastic bending are intimately linked and result from extensions of the same molecular deformations. The proposed mechanism bridges the gap between contested mechanisms, suggesting its applicability as a general mechanism for elastic and plastic bending in organic molecular crystals.…
Autor*innen: | Biswajit BhattacharyaORCiD, Adam A. L. MichalchukORCiD, Dorothee SilbernaglORCiD, N. Yasuda, Torvid Feiler, Heinz SturmORCiD, Franziska EmmerlingORCiD |
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Dokumenttyp: | Zeitschriftenartikel |
Veröffentlichungsform: | Verlagsliteratur |
Sprache: | Englisch |
Titel des übergeordneten Werkes (Englisch): | Chemical Science |
Jahr der Erstveröffentlichung: | 2023 |
Organisationseinheit der BAM: | 6 Materialchemie |
6 Materialchemie / 6.0 Abteilungsleitung und andere | |
6 Materialchemie / 6.3 Strukturanalytik | |
6 Materialchemie / 6.6 Physik und chemische Analytik der Polymere | |
Veröffentlichende Institution: | Bundesanstalt für Materialforschung und -prüfung (BAM) |
Verlag: | Royal Society of Chemisty (RSC) |
Verlagsort: | London/Cambridge |
Jahrgang/Band: | 14 |
Ausgabe/Heft: | 13 |
Erste Seite: | 3441 |
Letzte Seite: | 3450 |
DDC-Klassifikation: | Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten |
Freie Schlagwörter: | Mechanical flexibility; Mechanical property; Organic crystal |
Themenfelder/Aktivitätsfelder der BAM: | Material |
Material / Materialdesign | |
DOI: | 10.1039/D2SC06470G |
URN: | urn:nbn:de:kobv:b43-577722 |
ISSN: | 2041-6520 |
Verfügbarkeit des Dokuments: | Datei für die Öffentlichkeit verfügbar ("Open Access") |
Lizenz (Deutsch): | Creative Commons - CC BY - Namensnennung 4.0 International |
Datum der Freischaltung: | 28.06.2023 |
Referierte Publikation: | Ja |
Datum der Eintragung als referierte Publikation: | 28.06.2023 |
Schriftenreihen ohne Nummerierung: | Wissenschaftliche Artikel der BAM |