Functional Materials for Photocatalysis and Photovoltaic Applications: Advances from Theory and Experiments
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".
Deadline for manuscript submissions: closed (28 February 2021) | Viewed by 438
Special Issue Editors
Interests: layered materials; metal-organic frameworks; X-ray diffraction; catalysis
Special Issues, Collections and Topics in MDPI journals
Interests: computational chemistry; molecular modelling and simulation; charge displacement analysis; inorganic and hybrid materials; structural and optoelectronic properties; photovoltaic and photocatalytic applications; non covalent interactions; noble gas chemistry; halogen bonding
Special Issue Information
Dear Colleagues,
In the last 20 years, a lot of effort has been devoted to the elaboration and optimization of functional materials for photocatalytic and photoconversion applications, trying to face the energy crisis and environment pollution problems.
A fundamental key to reach enhanced performances in viable devices at a reasonable cost is the combination of theoretical and experimental data to drive the design, the synthesis, and the characterization of innovative materials. Besides the most advanced experimental techniques, an adequate modeling of the structural and optoelectronic properties of the materials is essential for a comprehensive understanding of their operative mechanisms and to support their fine tuning.
The present Special Issue intends to highlight the results of integrated experimental and theoretical investigations on innovative materials, with particular reference to semiconducting materials, both inorganic (TiO2, ZnO, Cu2O, CdS, CdTe, GaP, GaAs, ZnS, etc.) and hybrid organic–inorganic (such as perovskites or metal–organic frameworks (MOFs)). Multiple aspects of this topic will be tackled, such as the synthesis of different morphologies, surface functionalization, structural and photophysical characterization, the modeling and simulation of bulk, surface, and nanostructure properties, up to applications in solar devices or for photocatalytic reactions.
Original manuscripts (full-length articles or short communications), pointing out results from experimental and theoretical projects, as well as theoretical works based on published experimental data (and vice versa), with reference to materials for photovoltaic and photocatalytic applications, are all welcome.
Prof. Ferdinando Costantino
Dr. Francesca Nunzi
Guest Editors
Manuscript Submission Information
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Keywords
- energy storage materials
- metal oxides
- metal-organic frameworks
- perovskite semiconductors
- simulation and modeling
- optoelectronic properties
- spectroscopy
- structural characterization
- surfaces and interfaces
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