Journal Browser

Journal Browser

Special Issue "Electrochemical Behavior and Application of Advanced Electrode Materials 2.0"

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Physical Chemistry and Chemical Physics".

Deadline for manuscript submissions: 30 June 2024 | Viewed by 1267

Special Issue Editor

College of Materials Science and Chemical Engineering, Harbin Engineering University, Harbin 150001, China
Interests: electrocatalysis; supercapacitor; energy storage and conversion
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The excessive use of traditional fossil fuels has led to a serious energy crisis and environmental pollution, so it is urgent to develop efficient, clean and sustainable energy. Energy storage and conversion devices are considered effective approaches to solve this energy problem, including batteries, fuel cells, supercapacitors, electrocatalysis and so on. The development of advanced electrode materials is the key to achieving efficient energy storage and conversion, which include positive electrode materials, negative electrode materials, electrolytes, separators, etc. The rational design of electrode materials at the molecular level is helpful to improve their electrochemical performance, such as energy density, power capability, safety, durability and catalytic efficiency. At the same time, studying the evolution behavior of electrode materials during the electrochemical process is of great significance to reveal the operational and failure mechanisms of materials, thus helping to further optimize their performance.

This Special Issue on “Electrochemical Behavior and Application of Advanced Electrode Materials” seeks high-quality works on the latest advances in various electrode materials. The topic focuses on the design and electrochemical behavior of advanced electrode materials and their application in batteries, fuel cells, supercapacitors, electrocatalysis, etc. We are pleased to invite you to contribute related original articles or reviews.

Dr. Jing Yu
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.


  • batteries
  • fuel cells
  • supercapacitors
  • electrocatalysis
  • energy materials
  • electrodes
  • separators
  • electrochemical behavior

Published Papers (1 paper)

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


21 pages, 9177 KiB  
Structural and Electromagnetic Signatures of Anatase and Rutile NTs and Sheets in Three Different Water Models under Different Temperature Conditions
Int. J. Mol. Sci. 2023, 24(19), 14878; https://doi.org/10.3390/ijms241914878 - 04 Oct 2023
Viewed by 716
Experimental studies of TiO2 nanotubes have been conducted for nearly three decades and have revealed the remarkable advantages of this material. Research based on computer simulations is much rarer, with research using density functional theory (DFT) being the most significant in this [...] Read more.
Experimental studies of TiO2 nanotubes have been conducted for nearly three decades and have revealed the remarkable advantages of this material. Research based on computer simulations is much rarer, with research using density functional theory (DFT) being the most significant in this field. It should be noted, however, that this approach has significant limitations when studying the macroscopic properties of nanostructures such as nanosheets and nanotubes. An alternative with great potential has emerged: classical molecular dynamics simulations (MD). MD Simulations offer the possibility to study macroscopic properties such as the density of phonon states (PDOS), power spectra, infrared spectrum, water absorption and others. From this point of view, the present study focuses on the distinction between the phases of anatase and rutile TiO2. The LAMMPS package is used to study both the structural properties by applying the radial distribution function (RDF) and the electromagnetic properties of these phases. Our efforts are focused on exploring the effect of temperature on the vibrational properties of TiO2 anatase nanotubes and an in-depth analysis of how the phononic softening phenomenon affects TiO2 nanostructures to improve the fundamental understanding in different dimensions and morphological configurations. A careful evaluation of the stability of TiO2 nanolamines and nanotubes at different temperatures is performed, as well as the adsorption of water on the nanosurface of TiO2, using three different water models. Full article
Show Figures

Figure 1

Back to TopTop