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Nanoparticle for Catalysis—2nd Edition
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Nanoparticle for Catalysis—2nd Edition

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: closed (15 December 2023) | Viewed by 3113

Special Issue Editor

Dr. Shaodong Zhou

E-Mail Website
Guest Editor
Zhejiang Provincial Key Laboratory of Advanced Chemical Engineering Manufacture Technology, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China
Interests: gas-phase chemistry; C1 chemistry; fine chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nanoparticles play many vital roles in multidisciplinary research into areas including, for example, materials, chemistry, biology, medicine, physics, and computing. The nanoparticle catalysts continue to be in the spotlight due to their unique performances in various chemical processes. With rapid progress in nanoscience and technology, nanoparticle-mediated reactions can be carried out in different systems for both gas and condensed phases. Due to the doping, surface, volume, and quantum size effects, elements in nanoparticle form exhibit properties rather different from those exhibited by materials and may thus afford higher catalytic activity and selectivity for specific reactions. In particular, nanometal particles and semiconductor particles are widely used in photocatalysis and electrocatalysis. Moreover, the performance of nanoparticles is tunable by adjusting the size, morphology, and dopants. This Special Issue aims to provide insight into recent advances in nanoparticle catalysis, and focuses on the advantages, limitations and future directions of nanoparticle-mediated reactions in both chemical and biological systems. We encourage researchers to share their recent work in and perspectives on this vital topic of study.

Dr. Shaodong Zhou
Guest Editor

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.

Published Papers (2 papers)

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12 pages, 4068 KiB  
Article
Al-Doped Octahedral Cu2O Nanocrystal for Electrocatalytic CO2 Reduction to Produce Ethylene
by Sanxiu Li, Xuelan Sha, Xiafei Gao and Juan Peng
Int. J. Mol. Sci. 2023, 24(16), 12680; https://doi.org/10.3390/ijms241612680 - 11 Aug 2023
Cited by 1 | Viewed by 1461
Abstract
Ethylene is an ideal CO2 product in an electrocatalytic CO2 reduction reaction (CO2RR) with high economic value. This paper synthesised Al-doped octahedral Cu2O (Al–Cu2O) nanocrystal by a simple wet chemical method. The selectivity of CO [...] Read more.
Ethylene is an ideal CO2 product in an electrocatalytic CO2 reduction reaction (CO2RR) with high economic value. This paper synthesised Al-doped octahedral Cu2O (Al–Cu2O) nanocrystal by a simple wet chemical method. The selectivity of CO2RR products was improved by doping Al onto the surface of octahedral Cu2O. The Al–Cu2O was used as an efficient electrocatalyst for CO2RR with selective ethylene production. The Al–Cu2O exhibited a high % Faradic efficiency (FEC2H4) of 44.9% at −1.23 V (vs. RHE) in CO2 saturated 0.1 M KHCO3 electrolyte. Charge transfer from the Al atom to the Cu atom occurs after Al doping in Cu2O, optimizing the electronic structure and facilitating CO2RR to ethylene production. The DFT calculation showed that the Al–Cu2O catalyst could effectively reduce the adsorption energy of the *CHCOH intermediate and promote the mass transfer of charges, thus improving the FEC2H4. After Al doping into Cu2O, the center of d orbitals shift positively, which makes the d–band closer to the Fermi level. Furthermore, the density of electronic states increases due to the interaction between Cu atoms and intermediates, thus accelerating the electrochemical CO2 reduction process. This work proved that the metal doping strategy can effectively improve the catalytic properties of Cu2O, thus providing a useful way for CO2 cycling and green production of C2H4. Full article
(This article belongs to the Special Issue Nanoparticle for Catalysis—2nd Edition)
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13 pages, 2955 KiB  
Article
Towards Machine Learning in Heterogeneous Catalysis—A Case Study of 2,4-Dinitrotoluene Hydrogenation
by Alexandra Jakab-Nácsa, Attila Garami, Béla Fiser, László Farkas and Béla Viskolcz
Int. J. Mol. Sci. 2023, 24(14), 11461; https://doi.org/10.3390/ijms241411461 - 14 Jul 2023
Cited by 1 | Viewed by 976
Abstract
Utilization of multivariate data analysis in catalysis research has extraordinary importance. The aim of the MIRA21 (MIskolc RAnking 21) model is to characterize heterogeneous catalysts with bias-free quantifiable data from 15 different variables to standardize catalyst characterization and provide an easy tool to [...] Read more.
Utilization of multivariate data analysis in catalysis research has extraordinary importance. The aim of the MIRA21 (MIskolc RAnking 21) model is to characterize heterogeneous catalysts with bias-free quantifiable data from 15 different variables to standardize catalyst characterization and provide an easy tool to compare, rank, and classify catalysts. The present work introduces and mathematically validates the MIRA21 model by identifying fundamentals affecting catalyst comparison and provides support for catalyst design. Literature data of 2,4-dinitrotoluene hydrogenation catalysts for toluene diamine synthesis were analyzed by using the descriptor system of MIRA21. In this study, exploratory data analysis (EDA) has been used to understand the relationships between individual variables such as catalyst performance, reaction conditions, catalyst compositions, and sustainable parameters. The results will be applicable in catalyst design, and using machine learning tools will also be possible. Full article
(This article belongs to the Special Issue Nanoparticle for Catalysis—2nd Edition)
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