molecules-logo

Journal Browser

Journal Browser

Design, Synthesis and Applications of Supported Metal Catalysts

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: closed (31 December 2023) | Viewed by 1889

Special Issue Editors


E-Mail Website
Guest Editor
National Nanotechnology Center, National Science and Technology Development Agency (NSTDA), Pathum Thani, Thailand
Interests: heterogeneous catalysis; photocatalysis; electrocatalysis; carbon dioxide capture and utilization; biomass valorization; 2D materials; nanomaterials; microscopy and microanalysis

E-Mail Website
Guest Editor
National Nanotechnology Center, National Science and Technology Development Agency (NSTDA), Pathum Thani, Thailand
Interests: heterogeneous catalyst; density funcational theory (DFT); photocatalysis; reaction mechanism; electronic structure; dye sensitized solar cell; metal oxide catalyst; zeolite
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
National Nanotechnology Center, National Science and Technology Development Agency (NSTDA), Pathum Thani, Thailand
Interests: chemical reaction engineering; heterogeneous catalysis; biofuels; biorefinery; advanced characterizations; XAS; nanomaterials

E-Mail Website
Guest Editor
National Nanotechnology Center, National Science and Technology Development Agency (NSTDA), Pathum Thani, Thailand
Interests: chemical reaction engineering; heterogeneous catalysis; biofuels; biorefinery; nanomaterials

Special Issue Information

Dear Colleagues,

Metal-support interactions play important roles in the physicochemical properties and catalytic behaviors of heterogeneous catalysts. Stabilized metals supported on nanomaterials have been used as a catalyst for many key industrial reactions. Engineering the coordinative environment of the metals and supports is one of the few strategies to promote the reactivity, selectivity, and stability of the catalysts. Therefore, this topic has attracted considerable attention in recent years. This special issue is opened as a platform for discussion and updating the recent advances on:

  • theoretical studies on rational designs of supported metal catalysts
  • synthesis strategies to achieve supported metal catalysts with well-defined active sites
  • advanced characterizations to identify the nature of metal-support sites and their roles in catalytic behaviors
  • insightful mechanism studies occurring on the metal-support sites
  • state-of-the-art catalysts with high performance and stability

Nanoparticles, clusters, as well as single-atom metals supported on various types of nanomaterials, which are used as a photo-, thermal-, and electrochemical catalysis for energy and environmental applications are welcome to participate in this issue.

Dr. Teera Butburee
Dr. Supawadee Namuangruk
Dr. Pongtanawat Khemthong
Dr. Kajornsak Faungnawakij
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • metal-support interaction
  • heterogeneous catalysis
  • supported metal catalysts
  • nanocatalysts
  • single-atom catalysts
  • density functional theory

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

13 pages, 2114 KiB  
Article
Quantitative Structure–Electrochemistry Relationship (QSER) Studies on Metal–Amino–Porphyrins for the Rational Design of CO2 Reduction Catalysts
by Furong Chen, Amphawan Wiriyarattanakul, Wanting Xie, Liyi Shi, Thanyada Rungrotmongkol, Rongrong Jia and Phornphimon Maitarad
Molecules 2023, 28(7), 3105; https://doi.org/10.3390/molecules28073105 - 30 Mar 2023
Viewed by 1313
Abstract
The quantitative structure–electrochemistry relationship (QSER) method was applied to a series of transition-metal-coordinated porphyrins to relate their structural properties to their electrochemical CO2 reduction activity. Since the reactions mainly occur within the core of the metalloporphyrin catalysts, the cluster model was used [...] Read more.
The quantitative structure–electrochemistry relationship (QSER) method was applied to a series of transition-metal-coordinated porphyrins to relate their structural properties to their electrochemical CO2 reduction activity. Since the reactions mainly occur within the core of the metalloporphyrin catalysts, the cluster model was used to calculate their structural and electronic properties using density functional theory with the M06L exchange–correlation functional. Three dependent variables were employed in this work: the Gibbs free energies of H*, C*OOH, and O*CHO. QSER, with the genetic algorithm combined with multiple linear regression (GA–MLR), was used to manipulate the mathematical models of all three Gibbs free energies. The obtained statistical values resulted in a good predictive ability (R2 value) greater than 0.945. Based on our QSER models, both the electronic properties (charges of the metal and porphyrin) and the structural properties (bond lengths between the metal center and the nitrogen atoms of the porphyrin) play a significant role in the three Gibbs free energies. This finding was further applied to estimate the CO2 reduction activities of the metal–monoamino–porphyrins, which will prove beneficial in further experimental developments. Full article
(This article belongs to the Special Issue Design, Synthesis and Applications of Supported Metal Catalysts)
Show Figures

Graphical abstract

Back to TopTop