Browsing by Author "Durukanoglu, Sondan"

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Citation Count: 0
Repetitive Rolling of Triptycene-Based Molecules on Cu Surfaces
(Amer Chemical Soc, 2024) Konuk, Mine; Madran, Melihat; Uysal, Mehmet Tuna; Beser, Deniz; Ozen, Alimet Sema; Akdeniz, Zehra; Durukanoglu, Sondan
The metal surface-supported rotation of artificial molecular structures is technologically important for developing molecular-level devices. The key factors leading to the practical applications of these molecular machines on metal surfaces are the atomic-scale control of the rotation and the counterbalance of the temperature-driven instability of the molecules. In this work, we present a means by which triptycene-based molecular wheels can roll repetitively on a metal surface. Our results show that regularly stepped surfaces are the perfect candidate not only for stabilizing the molecule on the metal surface but also for providing the pivot points needed for repetitive vertical rotation of the molecule at higher temperatures. In addition to the geometrical compatibility of the substrate and the molecule, intermittent application of the external electric field is needed for rolling the molecule on a metal-stepped surface in a controllable manner.
Citation Count: 0
The Role of Atomistic Processes in Growth of Cu-Ni Metallic/Bimetallic Nanoparticles
(Elsevier, 2023) Ilker, Efe; Konuk, Mine; Madran, Melihat; Gokcen, Mine; Goksal, Ilkin; Durukanoglu, Sondan
Controlling the morphology of non-noble bimetallic nanocrystals can provide an excellent opportunity to improve performance and activity in catalytic reactions. Although several studies have focused on the overall macroscopic description of the synthesis process, identifying the leading factors in a typical crystal growth process at the atomic scale is still challenging. Here we report the results of atomic scale calculations on the shape evolution of bimetallic Cu-Ni nanoparticle growth using molecular static and dynamic simulations. Our calculations show that statistical analysis of space and time characteristics of single atom diffusion mechanisms and their energy barriers provide sound guidance for fabricating end products with specific shapes and architecture in a growth process.