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Innovative visualization of crystal morphology effects on semiconductor photocatalysts. Tuning the Hückel polarity of the shape-tailoring agents: the case of Bi2WO6

DOI:10.1039/C8CE01744A 期刊:CrystEngComm 出版年份:2019 更新时间:2025-09-19 17:15:36
摘要: The shape tailoring synthesis of different materials is a hot topic nowadays. The essence of morphology controlling processes is to tune the geometry of the crystal in such a way that a desired property of the crystal to be preponderantly enhanced. However, the main issue of such synthesis approaches is to get simple morphological correlations with the applied shape-tailoring agents. This specific situation is also valid for shape controlled photocatalytic materials. That is why in the present work Bi2WO6 microcrystals were obtained using two shape tailoring agents: Triton-X and amino acids/(tio)carbamide structures. The first one was applied as a binary variable (presence or absence), while in the case of the second one the Hückel polarity of the chalcogen-carbon double bond (C=O or S) was considered as the changing parameter. The as-prepared materials were characterized by XRD, DRS, SEM and IR spectroscopy and their activity was verified under visible light illumination using Rhodamine B as the model pollutant to enhance the general validity of the results. It was found that an empiric geometric function, defined as the “rose similarity decay constant”-RSDC, showed that a perfect rose shape (low RSDC) or geometries with similarly low RSDC exhibited high photocatalytic activity. Moreover, the introduced empiric value was correlated with the Hückel polarity of the samples, showing for the first time a direct association between a structural parameter of the shape tailoring agent, obtained crystal geometry and photoactivity.
作者: Zsolt Kása,Lucian Baia,Klára Magyari,Klara Hernadi,Zsolt Pap
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Investigating the relationship between the structure of shape-tailoring agents, the morphology of Bi2WO6 microcrystals, and their photocatalytic activity under visible and UV light.

The research successfully demonstrated a direct correlation between the Hückel polarity of shape-tailoring agents, the morphology (quantified by RSDC), and the photocatalytic activity of Bi2WO6. Lower RSDC values (indicating rose-like shapes) and lower polarity were associated with higher activity, particularly under visible light. The study provides a novel approach for morphology control in photocatalysis but highlights the need for further in-depth investigations to understand underlying mechanisms.

The study is limited to Bi2WO6 and specific shape-tailoring agents; the RSDC method is empirical and may not capture all morphological aspects; results may not generalize to other materials or conditions; the influence of Triton X-100 complicates correlations.

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