Materials and Phenomenology for Electrocatalysis and Redox Reactions
A special issue of Catalysts (ISSN 2073-4344). This special issue belongs to the section "Electrocatalysis".
Deadline for manuscript submissions: closed (31 August 2023) | Viewed by 2147
Special Issue Editors
Interests: electrocatalysis/piezocatalysis; oxide-derived Cu; density functional theory (DFT); multiscale modeling (force fields); machine learning
Interests: electrochemical reduction; scanning tunneling microscopy (STM); X-ray photoelectron spectroscopy (XPS); Pt-Fe alloyed interfaces; Cu-O heterostructures
Interests: redox chemistry; environmental transmission electron microscopy (ETEM); in situ TEM; dynamic structural transformations; surface oxidation; corrosion; Cu oxidation
Interests: electrocatalysis; reduction and evolution reactions (ORR/OER/HER); nanostructure design; voltammetry (CV, LSV, etc.); chemical vapor deposition (CVD)
Special Issue Information
Dear Colleagues,
A persistent goal of materials for electrocatalysis and associated redox reactions—including the Oxygen Reduction Reaction, CO2/CO electrochemical reduction, and MeOH reduction—is the selection of desired products with high activity. Preferential reactivity encompasses inducing single reactions via structural and compositional engineering, as well as dynamically transforming structures through multistep processes and reaction networks. Related catalytic kinetics can be tuned in materials such as Cu-based heterostructural interfaces, alloyed surfaces, and mixed metal oxides. These materials can be transformed using techniques and phenomenology including surface reconstruction, derivation from oxides, interfacial segregation, and exsolving metals into oxides surfaces. Methodologies for exploring such materials and phenomenology a priori can begin with simulations, entailing Density Functional Theory and Nudged Elastic Band. Nevertheless, en masse screening and validation of catalytic material candidates benefit from extensive techniques, including force field optimization from DFT results, force field resolved Molecular Dynamics and Monte Carlo, interdisciplinary experimental–theoretical collaborations, and machine learning.
Overall, this Special Issue will connect materials, methods, and processes to electrocatalysis and associated redox chemistry, connecting comprehensive computation and experimentation to structural and compositional catalytic engineering. Original articles and reviews relating to former content, including tools designed to facilitate original research, are welcomed for submission.
Dr. Matthew Curnan
Dr. Hao Chen
Dr. Meng Li
Dr. Sandip Maiti
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. Catalysts is an international peer-reviewed open access monthly 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
- electrocatalysis
- redox reactions
- copper
- alloyed interfaces
- surface chemistry
- interfacial segregation
- dynamic structural transformations
- simulation
- experimental/theoretical collaborations
- machine learning
