Catalysts: Performance Simulation and Structure Design for Environment Purpose
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Catalytic Materials".
Deadline for manuscript submissions: closed (10 September 2023) | Viewed by 1932
Special Issue Editors
Interests: carbon-based materials; multicomponent composites; global waste valorization; degradation of emerging and persistent pollutants; biomass valorization; oxidative and reductive transformation of toxic compounds; photo-catalysis; (photo)Fenton processes
Special Issues, Collections and Topics in MDPI journals
Interests: chemistry of confined spaces; heterogeneous catalysis; computational chemistry methods
Interests: materials chemistry; environment-related catalysis; electrocatalysis; photocatalysis
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
The growth of the world’s population and worldwide industry has tremendous impact on the environment. The improvement of water treatment technologies is key when facing current water quality challenges, the ultimate one for drinking water treatment and water reuse being related to the presence of natural organic matter and micropollutants, the latter often related to dyes, pharmaceutical compounds, etc. In this context, the quest for novel advanced technologies to ensure a safe and sustainable water supply is growing at accelerating speed, having become one of the greatest global challenges of the 21st century. The removal of pollutants from wastewater is usually achieved by oxidative degradation, but chemical reduction is an important process, especially when the products are of interest in the context of the circular economy (value-added products). Heterogeneous catalysis (easy reuse) and photocatalysis (solar energy) have been extensively applied in solving these problems. In recent decades, computational chemistry has become a widespread tool, particularly useful for complementing experimental data. Nowadays, a wide diversity of theoretical methods, ranging from classical simulations to high-level quantum techniques, can be successfully applied to provide valuable insight into the chemical behavior of complex systems at an atomic scale. The macroscopic properties can, thus, be interpreted at the molecular level, facilitating the process of optimizing the conditions of catalytic reactions and of physical and chemical processes in general.
This Special Issue welcomes original contributions based on experimental and/or computational techniques, with the aim of covering the most recent research progress in environmental catalyst aspects regarding the application of novel materials (nanoparticles, composites, hybrids, etc.) in environmental catalysis, including photocatalysis, electrocatalysis, (photo)Fenton and other processes.
Dr. Iwona Kuźniarska-Biernacka
Dr. Alexandre Lopes Magalhães
Dr. Marta Susete da Silva Nunes
Guest Editors
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Keywords
- environmental catalysis
- heterogeneous catalysis
- (nano)catalysts
- photo/electro-catalysts
- (photo)Fenton processes
- composites/hybrids materials
- semiconductors
- water treatment
- hazard pollutants
- emerging pollutants
- theoretical simulation
- computational chemistry
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