Tim WürgerHelmholtz-Zentrum Hereon | HZG · Institute of Surface Science
Tim Würger
Doctor of Engineering
About
23
Publications
12,763
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355
Citations
Introduction
As an ambitious and curious person, I enjoy working on new problems while in parallel achieving necessary skills to solve a resulting task. Here, my interests lie primarily in the health care sector and focus on topics as cancer research and innovative cancer curative methods.
Currently, I try to learn more about the fundamental principles in magnesium corrosion using ab initio methods. Magnesium yields a high potential for implant design in medical engineering, as it bears good mechanical properties, is self-dissolving and biocompatible.
Additional affiliations
February 2018 - present
October 2016 - December 2016
November 2014 - January 2018
Education
September 2015 - February 2016
October 2014 - January 2018
October 2010 - June 2014
Publications
Publications (23)
The significance of incorporating anion species into electrolyte solvation structures, particularly with doubly charged Mg2 + ions, is investigated using the grand canonical density functional theory (GC‐DFT) approach. In an extension of previously established methodology, the work explores the thermodynamic stability in acetonitrile (AN) at the in...
The microstructure and composition of corrosion film deposited on pure Mg were systematically investigated, and for the first time DFT was used to reveal the adsorption behavior of carboxylates on the surface of corrosion layer rather than the metallic Mg. Presence of carboxylate inhibitor dramatically modified composition of the corrosion film and...
A Mg-air battery is a primary aqueous battery with high theoretical voltage and specific energy density. They have attracted much attention due to their high theoretical energy density, long shelf life, and safety. They consist of magnesium anode coupled to an air electrode. However, the performance of aqueous Mg-air batteries is relatively poor du...
Small organic molecules can alter the degradation rates of the magnesium alloy ZE41. However, identifying suitable candidate compounds from the vast chemical space requires sophisticated tools. The information contained in only a few molecular descriptors derived from recursive feature elimination was previously shown to hold the potential for dete...
Selecting effective corrosion inhibitors from the vast chemical space is not a trivial task, as it is essentially infinite. Fortunately, machine learning techniques have shown great potential in generating shortlists of inhibitor candidates prior to large-scale experimental testing. In this work, we used the corrosion responses of 58 small organic...
Selecting effective corrosion inhibitors from the vast chemical space is not a trivial task, as it is essentially infinite. Fortunately, machine learning techniques have shown great potential in generating shortlists of inhibitor candidates prior to large-scale experimental testing. In this work, we used the corrosion responses of 58 small organic...
Effective protective coatings are an essential component of lightweight engineering materials in a large variety of applications as they ensure structural integrity of the base material throughout its whole service life. Layered double hydroxides (LDHs) loaded with corrosion inhibitors depict a promising approach to realize an active corrosion prot...
Magnesium-based engineering materials are increasingly considered for transport applications due to their exceptional strength to weight ratios. [1] However, effective corrosion protection strategies are required due to the high chemical reactivity of magnesium (Mg). A promising approach to achieve the desired active corrosion protection are layere...
Aqueous primary Mg-air batteries have considerable potential as energy sources for sea applications and portable devices. However, some challenges at the anode-electrolyte interface related to self-corrosion, aging of the electrolyte...
The degradation behaviour of magnesium and its alloys can be tuned by small organic molecules. However, an automatic identification of effective organic additives within the vast chemical space of potential compounds needs sophisticated tools.Herein, we propose two systematic approaches of sparse feature selection for identifying molecular descript...
We have studied the degradation of pure magnesium wire in simulated body fluid and its subsets under physiological conditions to enable the prediction of the degradation rate based on the medium's ionic composition. To this end, micro-computed tomography and scanning electron microscopy with energy-dispersive X-ray spectroscopy were used, followed...
Until now, detecting weak spots in composite structures remains a key challenge in the aviation industry. The correct assessment of the load-bearing capability after structural overloading or the occurrence of barely-visible damages is particularly important to maintain structural integrity. Nonetheless, a reliable and overarching non-destructive i...
Small organic molecules that modulate the degradation behavior of Mg constitute benign and useful materials to modify the service environment of light metal materials for specific applications. The vast chemical space of potentially effective compounds can be explored by machine learning-based quantitative structure-property relationship models, ac...
Magnesium is the lightest structural engineering material and bears high potential to manufacture automotive components, medical implants and energy storage systems. However, the practical use of untreated magnesium alloys is restricted as they are prone to corrosion. An essential prerequisite for the control or prevention of the degradation proces...
Integrated attenuated total reflection – Fourier transform infrared spectroscopy (ATR-FTIR) – Electrochemical impedance spectroscopy (EIS) measurements were used to simultaneously follow chemisorption mechanisms of organic inhibitors as well as their corrosion inhibition efficiency towards magnesium based substrates. Four carboxylic compounds, i.e....
Highlights
• Artificial neural network predicts performance of corrosion modulating agents for Mg.
• Calculated HOMO LUMO gap correlates well with inhibition efficiencies for CP Mg.
• Model predictions validated by subsequent investigation of untested compounds.
• Trained model facilitates performance prediction for material of similar composit...
Magnesium exhibits a high potential for a variety of applications in areas such as transport, energy and medicine. However, untreated magnesium alloys are prone to corrosion, restricting their practical application. Therefore, it is necessary to develop new approaches that can prevent or control corrosion and degradation processes in order to adapt...
Acetone adsorbed on rutile TiO2 nanoparticles was investigated with respect to its energetic, vibrational, and chemical properties. Temperature-dependent ultrahigh-vacuum Fourier transform infrared spectroscopy measurements for different acetone dosages (4.5–900 L) give insights into the acetone adsorption behavior. Those experiments indicate therm...
Density functional theory (DFT) has been applied to elucidate the adsorption structures and energetics of benzoic acid on TiO2 (110), (100), and (011) rutile surfaces. We demonstrate that ab initio calculations of interacting carboxylic acids require an exchange-correlation functional with van der Waals (vdW) correction to yield reliable results, e...