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TiO-CeO/g-CN S 型异质结复合材料的制备及其光降解和析氢性能的实验与密度泛函理论研究

TiO-CeO/g-CN S-scheme heterostructure composite for enhanced photo-degradation and hydrogen evolution performance with combined experimental and DFT study.

机构信息

SSN Research Centre, Sri Sivasubramaniya Nadar College of Engineering, Kalavakkam, Chennai, 603 110, Tamil Nadu, India.

PG and Research Department of Chemistry, Thiagarajar College, Madurai, 625 009, Tamil Nadu, India.

出版信息

Chemosphere. 2022 Feb;288(Pt 3):132611. doi: 10.1016/j.chemosphere.2021.132611. Epub 2021 Oct 19.

DOI:10.1016/j.chemosphere.2021.132611
PMID:34678342
Abstract

The g-CN/TiO nanocomposites (NCs) are fabricated by optimization of calcination and subsequent hydrothermal technique decorated with CeO nanoparticles (NPs) to build the g-CN/TiO-CeO hybrid NCs. The chemical and surface characterizations of structural, morphological, elemental composition, optical, photo-degradation, HER performance and the DFT computation has been efficiently analyzed. The g-CN/TiO-CeO composite photocatalysts (PCs) exhibit photocatalytic improved performance (∼97 %) for MB aqueous dye related to pristine g-CN and g-CN/TiO composite PCs. The obtained k value of the g-CN/TiO/CeO heterostructure composite PCs has around 0.0262 min and 6.1, 2.6 and 1.5 times higher than to g-CN (0.0043 min), g-CN/CeO (0.0099 min) and g-CN/TiO (0.0180 min) PCs respectively. Likewise, the synergistic probable S-scheme charge separation mechanism based on scavengers' tests and other values, which leads to effective separation of photo-excited (e-h) pairs, whereas high degradation and more HO molecules have photo-reduction to H. The H evolution reaction (HER) and the electrochemical impedance spectroscopy (EIS) of the as-obtained samples were explored via electrochemical study. This exertion recommends that the rational strategy and building of g-CN/TiO-CeO nano-heterostructures were beneficial for developing visible-light-driven recyclable PCs for ecological refinement.

摘要

g-CN/TiO 纳米复合材料(NCs)通过优化煅烧和随后的水热技术制备,并用 CeO 纳米粒子(NPs)进行修饰,以构建 g-CN/TiO-CeO 杂化 NCs。对结构、形态、元素组成、光学、光降解、HER 性能和 DFT 计算的化学和表面特性进行了有效分析。g-CN/TiO-CeO 复合光催化剂(PCs)在与原始 g-CN 和 g-CN/TiO 复合 PCs 相关的 MB 水溶液染料的光催化性能方面表现出显著提高(约 97%)。所得 g-CN/TiO/CeO 异质结构复合 PCs 的 k 值约为 0.0262 min,分别比 g-CN(0.0043 min)、g-CN/CeO(0.0099 min)和 g-CN/TiO(0.0180 min)PCs 高 6.1、2.6 和 1.5 倍。同样,基于清除剂测试和其他值的协同可能 S 型电荷分离机制,导致光激发(e-h)对的有效分离,而高降解和更多的 HO 分子被光还原为 H。通过电化学研究探索了所获得样品的析氢反应(HER)和电化学阻抗谱(EIS)。这种努力表明,g-CN/TiO-CeO 纳米异质结构的合理策略和构建有利于开发用于生态修复的可见光驱动可回收 PC。

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