Novel Photocatalytic Materials: Computational Simulation and Design of the Structure, Properties, and Catalytic Mechanism

A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Photocatalysis".

Deadline for manuscript submissions: closed (31 May 2022) | Viewed by 191

Special Issue Editor


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Guest Editor
Queen Mary University of London Engineering School, Northwestern Polytechnical University, Xi'an, China
Interests: two-dimensional materials with novel ferromagnetic property; electrocatalytic activity; lubricating property; high-throughput computational method development

Special Issue Information

Dear Colleagues,

Photocatalysts have been widely applied today in various areas such as water splitting, wastewater treatment, air purification, and bacteria inactivation. It is a challenge of great importance to explore newer photocatalysts that are stable, abundant, and efficient. In recent years, intensive efforts have been devoted to the discovery of novel photocatalytic materials (e.g., C/N/S-doped TiO2, complex metal oxides, and low-dimensional semiconductor photocatalysis), to understand the fundamental principles governing the photocatalytic performance, improve efficiency, and expand the scope of applications.

In this collection, we are particularly interested in designing and identifying structures and properties with advanced photocatalytic performance. Additionally, we aim to rationalize the intrinsic properties and features affecting photocatalytic performance and further insight into their catalytic mechanism via simulation and calculation.

Prof. Dr. Xiaoli Fan
Guest Editor

Manuscript Submission Information

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Keywords

  • photocatalytic materials
  • structure
  • catalytic mechanism
  • computational simulation
  • intrinsic property
  • photocatalytic efficiency

Published Papers

There is no accepted submissions to this special issue at this moment.
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