Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği

Permanent URI for this collectionhttps://hdl.handle.net/11147/4719

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  • Article
    Citation - WoS: 8
    Citation - Scopus: 10
    Impact of Simulated Inflammation and Food Breakdown on the Synergistic Interaction Between Corrosion and Wear on Titanium
    (Elsevier, 2024) Lima, A.R.; Pinto, A.M.P.; Toptan, F.; Alves, A.C.
    This paper investigates the impact of lactic acid and phosphoric acid additives in artificial saliva (AS), simulating inflammation and food breakdown, on the electrochemical and tribo-electrochemical behavior of titanium. The results showed that, unlike lactic acid, phosphoric acid significantly reduced corrosion resistance, mainly due to local damage and heterogeneities on the passive film. Non-additivated AS caused greater wear volume loss, with mechanical wear identified as the main mechanism. However, when additives were present, a synergistic interplay between corrosion and wear was observed. The study concludes that prolonged exposure to food breakdown could accelerate material degradation in titanium. © 2024 Elsevier Ltd
  • Book Part
    Future Applications of Artificially-Synthesized Organic Molecules Containing Transition-Metal Atoms
    (Elsevier, 2018) Mayda, Selma; Kandemir, Zafer; Bulut, Nejat
    Artificially-synthesized organic molecules which contain transition-metal atoms offer new possibilities for applications in the electronics, pharmaceutical, and chemical industries. Hence, developing an understanding of the electronic properties of this kind of organic molecules is important. With this purpose, here we study the electronic properties of metalloproteins, metalloenzymes, and Ru-based dye molecules as examples for this kind of organic molecules. In particular, we perform combined Hartree-Fock (HF) and quantum Monte Carlo (HF+QMC) calculations, as well as combined density functional theory (DFT) and QMC (DFT+QMC) calculations to study the electronic properties of these molecules. Our results show that new electronic states named as impurity bound states (IBS) form in metalloproteins, metalloenzymes, and Ru-based dye molecules. We show that the electron occupancy of IBS is critically important in determining the low-energy electronic properties of these molecules. In this respect, the IBS may play a central role in developing new applications based on artificially-synthesized organic molecules containing transition-metal atoms. © 2018 Elsevier Inc. All rights reserved.