Formation and Stability of Nontoxic Perovskite Precursor

Hafshejani, Tahereh Mohammadi; Hohmann, Siegfried; Nefedov, Alexei; Schwotzer, Matthias; Brenner‐Weiß, Gerald; Izadifar, Mohammadreza; Thissen, Peter

doi:10.1021/acs.langmuir.9b03037

Cited by 5 publications

(4 citation statements)

References 56 publications

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“…Namely (Figure A), above a minimal charge per molecule of maleic acid (gray area), the hydration energy E hydr becomes more negative with a higher charge per molecule. This is in accordance with a study by Hafshejani . There are two main reasons for this trend: first, the higher charge is accompanied by deprotonation of the acid groups, leading to higher susceptibility to hydrogen bonding, and second, as was shown above, the geometry of the organic molecule changes.…”

Section: Resultssupporting

confidence: 92%

Role of the Hydration Shell in the pH-Dependent Adsorption of Maleic Acid

et al. 2021

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Past model studies have investigated adsorption processes on carbonaceous surfaces, focusing on gas-phase adsorption and thus uncharged molecules. In real-world applications, the adsorption from solutions is oftentimes of higher interest though, bringing charged species into the equation. In aqueous solutions, the first water layer with its stabilizing hydrogen bonds is especially important for the overall stability of the system. In this study, we use ab initio density functional theory for modeling the adsorption of (charged) maleic acid on a graphene sheet along with experimental validation of the computational results. We find that including a water layer makes a substantial difference in the conformation of charged adsorbed molecules. The results obtained are also in good agreement with the corresponding experiments.

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Section: Resultssupporting

confidence: 92%

Role of the Hydration Shell in the pH-Dependent Adsorption of Maleic Acid

et al. 2021

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“…Our synthesis and characterization of these materials provide enough insights for any device-building application in the field of semiconductor oxides. The synthesis process can easily be transferred to silicon wafers . From there, selective sensors for infrared and other spectroscopy techniques can be created.…”

Section: Discussionmentioning

confidence: 99%

Synthesis of Silicates for High-Performance Oxide Semiconductors: Electronic Structure Analysis

Longo

Schewe

Weidler

et al. 2020

ACS Appl. Electron. Mater.

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The demand for different materials in the field of semiconductors has been driving a strong research during the past decades. Few unique materials have been developed, and with additional modifications like crystal doping, it is now possible to achieve many of the desired material properties with atomic scale precision. An important roadblock for the scientific community lies in the fact that many of the materials being considered as channel replacements for silicon, like GaAs, indeed have well-characterized and likely tunable electronic properties. On the other hand, such compounds are not suitable for mass production because they would represent both an increase in the demand of environmentally critical resources and safety concerns due to their toxic nature. In this work, we report the synthesis of three different silicates using a wet chemical approach, with a strict limitation to nontoxic and environmentally friendly resources. The atomic and electronic structure of the obtained oxides are characterized by X-ray diffraction (XRD), infrared spectroscopy (IR), and diffuse reflection ultraviolet–visible spectroscopy (UV/vis) and subsequently examined by means of first-principles calculations. Finally, we not only discuss possible limitations of the synthesized compounds but also anticipate further expansions of our approach to finally present the most likely fields of application.

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“…The detailed knowledge from basic research acquired in this project can finally be transferred to industry for innovation. As depicted in Figure , the incorporation of new metals would be possible at different points during the production of cement-bound material both before and after hydration …”

Section: Exchange Reactions At Cement-bound Materialsmentioning

confidence: 99%

Exchange Reactions at Mineral Interfaces

Thissen

2020

Langmuir

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Exchange reactions are a family of chemical reactions that appear when mineral surfaces come into contact with protic solvents. Exchange reactions can also be understood as a unique interaction at mineral interfaces. Particularly significant interactions occurring at mineral surfaces are those with water and CO2. The rather complex process occurring when minerals such as calcium silicate hydrate (C–S–H) phases come into contact with aqueous environments is referred to as a metal–proton exchange reaction (MPER). This process leads to the leaching of calcium ions from the near-surface region, the first step in the corrosion of cement-bound materials. Among the various corrosion reactions of C–S–H phases, the MPER appears to be the most important one. A promising approach to bridging certain problems caused by MPER and carbonation is the passivation of C–S–H surfaces. Today, such passivation is reached, for instance, by the functionalization of C–S–H surfaces with water-repelling organic films. Unfortunately, these organic films are weak against temperature and especially weak against abrasion. Exchange reactions at mineral interfaces allow the preparation of intrinsic, hydrophobic surfaces of C–S–H phases just at room temperature via a metal–metal exchange reaction.

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Formation and Stability of Nontoxic Perovskite Precursor

Cited by 5 publications

References 56 publications

Role of the Hydration Shell in the pH-Dependent Adsorption of Maleic Acid

Role of the Hydration Shell in the pH-Dependent Adsorption of Maleic Acid

Synthesis of Silicates for High-Performance Oxide Semiconductors: Electronic Structure Analysis

Exchange Reactions at Mineral Interfaces

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