Special Issue "Electrocatalytic Processing of Biomass for Energy Conversion and Storage"
Deadline for manuscript submissions: 30 April 2021.
Interests: electrochemical reactions; fuel cells; hydrogen production; biomass upgrading; catalysis
Interests: heterogeneous catalysis; electrocatalysis; kinetics; hydrotreating; biomass conversion
Interests: computational catalysis; multiscale modeling; electrochemical conversions; biomass conversion
Interests: Electronic structure, molecular dynamics, data science, CO2 capture and conversion, catalysis, seperations
Interests: electrocatalysis; hydrogen production; surface chemistry; energy storage; fuel cells
Given the surge in interest for sustainable and resilient energy systems, we are publishing a Special Issue dedicated to combining fuel cell technology with conversion of organic compounds. This issue will focus on using biomass in fuel cells to generate power, or in electrolysis cells to generate hydrogen, as well as transforming biomass into products with fuel cell technology. The issue will include reviews and original research describing recent advances in catalyst and process development, catalytic fuel cells and electrolyzers, microbial fuel cells and electrolyzers, computational studies, and technoeconomic analysis.
Dr. Jamie Holladay
Dr. Oliver Y. Gutierrez
Dr. Roger Rousseau
Dr. Vassiliki-Alexandra Glezakou
Dr. Kelsey Stoerzinger
Dr. Juan Lopez-Ruiz
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 papers will be 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 1800 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.
- fuel cells
- electrochemical oxidation, electrochemical reduction
- oxygen evolution reaction
- biomass conversion, electrochemical synthesis
- theory and simulation, computational catalysis, electrocatalysis
- hydrogen production
- microbial fuel cells
- microbial electrolyzers
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Title: Elucidating the Influence of Electric Fields Toward CO2 Activation on YSZ(111)
Authors: Nisa Ulumuddin; Jung-Il Yang; Su Ha; Jean-Sabin McEwen
Affiliation: Voiland School of Chemical Engineering and Bioengineering Washington State University
Abstract: Despite its high thermodynamic stability, the presence of a negative electric field is known to facilitate the activation of CO2 through electrostatic effects.1 To utilize electric fields for a reverse water gas shift reaction, it is critical to elucidate the role of an electric field on a catalyst surface toward activating a CO2 molecule. A first-principles study was conducted to gain an atomic and electronic description of CO2 when adsorbed upon YSZ (111) surfaces when external electric fields of +1V/Å, 0 V/Å, and -1 V/Å are applied. We have found that the application of an external electric field generally causes destabilization of the oxide bonds, displaying higher reducibility. Surface reducibility was the highest when positive charges accumulate on the surface, i.e. when a positive electric field is applied. Interestingly, our findings also show that the presence of a positive field or in the absence of an electric field leads to the physisorption of CO2 with a preferential coordination to the surface Y atom rather than to Zr. In contrast, CO2 becomes chemisorbed in the presence of a negative electric field and bonds with surface O. In addition, a negative electric field leads to an accumulation of negative charge that bends CO2, altering the shape and energy of its molecular orbitals, making C more electrophilic and enabling the formation of the CO3- complex.2 Bond weakening was evident by the lengthening of the molecular C-O bonds and was investigated further in a vibrational mode analysis. The catalyst surface thus facilitates CO2 activation mainly through a charge transfer pathway. A fundamental understanding of how CO2 interacts with a field-induced surface allows us to fine-tune the environment suitable for facilitating CO2 cleavage to make value-added products.
Title: Electrochemical Intermolecular C-H/O-H Functionalization for the Synthesis of Flavanones and Tetrahydroquinolones Using Sacrificial Electrodes.
Authors: Guilherme M. Martins; Samuel R. Mendes; Willian Santos
Affiliation: Universidade Federal de Santa Catarina - UFSC - Labselen - Brasil
Abstract: Derivatives of flavanones and tetrahydroquinolones are valuable precursors for the synthesis of medically important compounds, being widely found in natural products, providing continuous interest among chemists and biologists. Herein, we propose a friendly electrosynthetic route to obtain derivatives of flavanones and tetrahydroquinolones from the respective 2-hydroxy-chalcones using sacrifice electrodes. The methodology and the reaction mechanism, as well as the influence of the substituents are under investigation.
Title: Electrocatalytic processing of biocrudes into fuel-type molecules, chemical and H2
Authors: Yang Qiu; Juan A. Lopez-Ruiz
Affiliation: Pacific Northwest National Laboratory, Richland, United States